UCSF

ZINC37351608

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 4.51 8.12 -29.65 3 3 1 45 278.807 3
Mid Mid (pH 6-8) 4.51 8.03 -5.36 2 3 0 44 277.799 3

Activity (Go SEA)

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