UCSF

ZINC34579870

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 15 No

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) 1.72 6.62 -7.7 0 3 0 24 204.273 1
Mid Mid (pH 6-8) 1.72 6.5 -37.9 1 3 1 25 205.281 1

Activity (Go SEA)

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