UCSF

ZINC01451060

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 36 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) 5.52 11.72 -60.51 0 7 -1 92 499.568 7
Mid Mid (pH 6-8) 4.94 -0.64 -20.1 0 7 0 85 500.576 7

Activity (Go SEA)

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