UCSF

ZINC07230218

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2006 26 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) 1.89 -3.55 -46.1 1 9 -1 117 372.386 4
Hi High (pH 8-9.5) 1.89 -2.97 -96.66 0 9 -2 119 371.378 4

Activity (Go SEA)

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