UCSF

ZINC37825599

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) 2.84 7.73 -39.26 2 5 1 63 295.403 6
Hi High (pH 8-9.5) 2.84 6.58 -11.99 1 5 0 59 294.395 6

Activity (Go SEA)

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