UCSF

ZINC12568350

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 37 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) 5.57 12.68 -14.22 1 5 0 48 498.577 6
Mid Mid (pH 6-8) 5.57 14.52 -60.93 2 5 1 50 499.585 6

Activity (Go SEA)

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