UCSF

ZINC47251256

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2010 22 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) 2.08 -0.91 -49.46 3 7 -1 120 405.275 5
Hi High (pH 8-9.5) 2.08 -0.47 -96.78 2 7 -2 118 404.267 5
Hi High (pH 8-9.5) 2.08 -0.79 -106.35 2 7 -2 123 404.267 5
Lo Low (pH 4.5-6) 2.08 -0.93 -16.93 4 7 0 118 406.283 5

Activity (Go SEA)

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