UCSF

ZINC37877428

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 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) 0.72 5.4 -110.53 4 5 2 59 282.432 8
Mid Mid (pH 6-8) 0.72 3.3 -47.3 3 5 1 58 281.424 8

Activity (Go SEA)

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