UCSF

ZINC37825010

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 0.16 7.89 -117.84 3 5 2 54 292.427 9
Hi High (pH 8-9.5) 0.16 6.53 -56.18 2 5 1 50 291.419 9

Activity (Go SEA)

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