UCSF

ZINC34624163

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 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) -1.46 -1.21 -189.69 8 6 3 94 289.444 8
Hi High (pH 8-9.5) -1.46 -2.8 -44.74 6 6 1 87 287.428 8
Hi High (pH 8-9.5) -1.46 -2.41 -106.8 7 6 2 89 288.436 8

Activity (Go SEA)

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