UCSF

ZINC06629915

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 29 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) 6.39 14.09 -25.29 2 4 0 43 395.567 8
Mid Mid (pH 6-8) 6.39 13.97 -12.51 1 4 0 42 394.559 8

Activity (Go SEA)

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