UCSF

ZINC33740161

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 39 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) 5.74 13.1 -16.43 0 7 0 60 522.649 8
Mid Mid (pH 6-8) 5.74 15.42 -62.28 1 7 1 61 523.657 8

Activity (Go SEA)

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