UCSF

ZINC43405003

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 2.30 7.24 -99.24 4 3 2 45 247.386 2
Hi High (pH 8-9.5) 2.30 6.83 -48.9 3 3 1 44 246.378 2
Hi High (pH 8-9.5) 2.30 6.85 -21.57 3 3 1 43 246.378 2

Activity (Go SEA)

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