UCSF

ZINC06777621

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 23 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) 1.58 -1.56 -17.18 1 7 0 94 336.369 6
Hi High (pH 8-9.5) 1.58 -0.99 -47.61 0 7 -1 96 335.361 6

Activity (Go SEA)

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