UCSF

ZINC60605395

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 28th, 2011 27 No

Popular Name: 7-[4-(2-pyridylmethyl)piperazine-1-carbonyl]-2-sulfanyl-3H-quinazolin-4-one 7-[4-(2-pyridylmethyl)piperazine…

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Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.49 3.93 -37.36 1 7 -1 88 380.453 3 ↓
Mid Mid (pH 6-8) 0.03 5.27 -16.32 2 7 0 85 381.461 3 ↓
Mid Mid (pH 6-8) 0.49 3.93 -56.99 2 7 0 89 381.461 3 ↓
Lo Low (pH 4.5-6) 0.03 7.49 -57.63 3 7 1 86 382.469 3 ↓
Lo Low (pH 4.5-6) 0.03 5.28 -46.73 3 7 1 86 382.469 3 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.