UCSF

ZINC37825127

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 0.92 7.37 -174.61 5 5 3 57 301.499 8
Mid Mid (pH 6-8) 0.92 7.03 -93.37 4 5 2 55 300.491 8

Activity (Go SEA)

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