UCSF

ZINC39123738

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 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) 1.60 2.12 -50.71 3 6 0 102 287.3 2
Hi High (pH 8-9.5) 1.35 0.23 -120.13 1 6 -2 105 285.284 3
Mid Mid (pH 6-8) 1.60 1.66 -48.72 2 6 -1 101 286.292 2

Activity (Go SEA)

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