UCSF

ZINC41628419

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 26 Yes

Popular Name: (2R)-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl] (2R)-N-(5-isopropyl-1,3,4-thiadi…

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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) 3.48 7.21 -21.44 2 7 0 101 393.538 6 ↓
Hi High (pH 8-9.5) 3.67 5.69 -47.88 1 7 -1 107 392.53 6 ↓
Mid Mid (pH 6-8) 3.94 5.4 -62.43 1 7 -1 104 392.53 6 ↓

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

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