UCSF

ZINC43898311

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 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) 0.59 1.37 -37.16 2 4 1 38 229.344 3
Hi High (pH 8-9.5) 0.59 -0.2 -2.4 1 4 0 34 228.336 3
Mid Mid (pH 6-8) 0.59 2.21 -31.3 2 4 1 35 229.344 3

Activity (Go SEA)

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