UCSF

ZINC33726195

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 22 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) 1.27 4.26 -13.49 1 5 0 51 301.39 4
Mid Mid (pH 6-8) 1.27 4.65 -31.76 2 5 1 52 302.398 4

Activity (Go SEA)

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