UCSF

ZINC34938818

Substance Information

In ZINC since Heavy atoms Benign functionality
October 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) 1.44 4.22 -38.46 3 3 1 46 197.302 6
Mid Mid (pH 6-8) 1.44 2.95 -7.68 2 3 0 41 196.294 6

Activity (Go SEA)

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