UCSF

ZINC19839227

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.93 -0.17 -16.84 3 6 0 93 278.308 3
Hi High (pH 8-9.5) 0.93 0.65 -55.89 2 6 -1 96 277.3 3

Activity (Go SEA)

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