UCSF

ZINC07053948

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 23 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) 4.28 7.12 -14.35 1 4 0 63 331.437 5
Mid Mid (pH 6-8) 4.28 7.24 -57.18 0 4 -1 65 330.429 5

Activity (Go SEA)

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