UCSF

ZINC00540621

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 25 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) 1.83 -0.7 -11.91 1 8 0 85 341.371 2
Mid Mid (pH 6-8) 1.83 -0.56 -32.76 2 8 1 86 342.379 2

Activity (Go SEA)

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