UCSF

ZINC25784400

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 14 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) 0.65 4.53 -50.81 2 4 1 50 210.282 2
Mid Mid (pH 6-8) 1.11 3.45 -46.17 1 4 0 53 209.274 2

Activity (Go SEA)

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