UCSF

ZINC13008925

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 29 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) -0.28 3.75 -32.78 2 9 0 136 431.499 7
Hi High (pH 8-9.5) 0.17 0.98 -80.1 1 9 -1 139 430.491 7

Activity (Go SEA)

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