UCSF

ZINC29247696

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 21 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) 3.52 9.41 -46.45 1 3 1 23 280.347 0
Mid Mid (pH 6-8) 3.52 7.05 -8.06 0 3 0 22 279.339 0

Activity (Go SEA)

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