UCSF

ZINC36154583

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 26 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) 4.81 10.35 -37.6 2 4 1 51 358.502 12
Mid Mid (pH 6-8) 4.81 8.42 -5.85 1 4 0 50 357.494 12

Activity (Go SEA)

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