UCSF

ZINC37825119

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 0.57 7.89 -169.88 4 5 3 46 287.472 7
Hi High (pH 8-9.5) 0.57 6.69 -91.99 3 5 2 41 286.464 7

Activity (Go SEA)

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