UCSF

ZINC95921970

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2014 12 Yes

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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) 1.32 3.43 -8.32 3 3 0 55 161.208 1
Mid Mid (pH 6-8) 1.32 3.41 -9.13 3 3 0 55 161.208 1
Lo Low (pH 4.5-6) 1.32 3.91 -32.18 4 3 1 56 162.216 1

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

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