UCSF

ZINC04541125

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 28 No

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) 2.30 0.47 -14.58 1 7 0 89 383.4 9
Mid Mid (pH 6-8) 1.71 0.27 -21.47 0 7 0 86 383.4 9

Activity (Go SEA)

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