UCSF

ZINC00543540

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 20 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) 2.08 7.1 -8.26 2 7 0 85 277.328 2
Mid Mid (pH 6-8) 2.08 7.58 -38.5 3 7 1 86 278.336 2

Activity (Go SEA)

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