UCSF

ZINC38225697

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 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) 5.27 11.91 -65.5 2 5 1 49 417.577 5
Mid Mid (pH 6-8) 5.27 8.67 -18.15 1 5 0 48 416.569 5

Activity (Go SEA)

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