UCSF

ZINC16921937

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 30 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) 8.64 2.74 -91.92 0 6 -2 96 474.404 9
Mid Mid (pH 6-8) 8.64 2.65 -31.58 1 6 -1 94 475.412 9
Lo Low (pH 4.5-6) 8.64 3.2 -12.85 2 6 0 92 476.42 9

Activity (Go SEA)

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