UCSF

ZINC37825070

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 1.90 6.85 -108.8 4 4 2 52 271.449 8
Mid Mid (pH 6-8) 1.90 6.54 -46.79 3 4 1 51 270.441 8

Activity (Go SEA)

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