UCSF

ZINC00387408

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 15 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) 1.43 7.9 -12.18 0 3 0 42 197.241 2
Mid Mid (pH 6-8) 1.43 8.37 -38.82 1 3 1 43 198.249 2

Activity (Go SEA)

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