UCSF

ZINC44659458

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 14 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) 0.63 6.28 -13.03 1 4 0 43 215.322 6
Mid Mid (pH 6-8) 1.36 6.17 -46.56 0 4 -1 40 214.314 6

Activity (Go SEA)

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