UCSF

ZINC42455346

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 1.92 7.1 -46.98 1 3 1 52 192.286 3
Mid Mid (pH 6-8) 1.92 5.77 -7.88 0 3 0 51 191.278 3

Activity (Go SEA)

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