UCSF

ZINC04158152

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 28 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) 6.69 0.9 -7.68 1 3 0 29 389.93 5
Mid Mid (pH 6-8) 6.69 1.08 -28.65 2 3 1 30 390.938 5

Activity (Go SEA)

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