UCSF

ZINC09634417

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2007 37 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) 3.96 12.62 -26.93 0 10 0 117 498.495 7
Mid Mid (pH 6-8) 0.04 14.37 -29.84 1 10 1 116 499.503 8

Activity (Go SEA)

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