UCSF

ZINC33013529

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 31 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) 3.44 10.65 -12.52 0 7 0 63 437.569 7
Mid Mid (pH 6-8) 3.44 12.92 -48.01 1 7 1 65 438.577 7

Activity (Go SEA)

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