UCSF

ZINC34981225

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 0.86 3.01 -48.15 2 5 1 59 227.284 7
Hi High (pH 8-9.5) 0.86 1.63 -5.87 1 5 0 55 226.276 7
Mid Mid (pH 6-8) 0.86 5.47 -123.59 3 5 2 60 228.292 7
Mid Mid (pH 6-8) 0.86 4.11 -40.73 2 5 1 56 227.284 7

Activity (Go SEA)

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