UCSF

ZINC41685416

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 0.98 7.56 -46.01 2 5 1 63 285.408 8
Mid Mid (pH 6-8) 0.98 6.21 -8.99 1 5 0 59 284.4 8

Activity (Go SEA)

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