UCSF

ZINC29925246

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2009 22 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) 0.23 4.01 -18.25 0 7 0 61 321.406 2
Mid Mid (pH 6-8) 0.23 6.34 -61.71 1 7 1 62 322.414 2

Activity (Go SEA)

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