UCSF

ZINC36746936

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 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) 1.22 2.06 -42.7 4 4 1 73 250.347 5
Mid Mid (pH 6-8) 1.22 0.88 -11.15 3 4 0 68 249.339 5

Activity (Go SEA)

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