UCSF

ZINC05883385

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 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) 4.36 7.56 -6.68 1 3 0 46 252.383 4
Mid Mid (pH 6-8) 4.36 7.86 -30.96 2 3 1 47 253.391 4

Activity (Go SEA)

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