UCSF

ZINC43413589

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 0.27 2.22 -44.79 3 8 -1 131 281.292 5
Hi High (pH 8-9.5) 0.73 0.56 -87.93 2 8 -2 134 280.284 5
Lo Low (pH 4.5-6) 0.27 0.24 -8.95 4 8 0 128 282.3 5

Activity (Go SEA)

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