UCSF

ZINC37825875

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) -0.20 5.85 -49.7 2 4 1 61 210.301 7
Hi High (pH 8-9.5) -0.20 4.49 -11.36 1 4 0 56 209.293 7

Activity (Go SEA)

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