UCSF

ZINC34744001

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 16 No

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) 0.36 1.35 -86.93 2 6 -2 121 272.174 9
Hi High (pH 8-9.5) 0.36 3.58 -283.51 0 6 -4 126 270.158 9
Mid Mid (pH 6-8) 0.36 2.46 -181.13 1 6 -3 124 271.166 9

Activity (Go SEA)

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