UCSF

ZINC43904096

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.96 8.51 -31.49 2 2 1 16 245.39 3
Mid Mid (pH 6-8) 2.96 9.35 -110.75 3 2 2 21 246.398 3
Mid Mid (pH 6-8) 2.96 7.83 -33.13 2 2 1 20 245.39 3

Activity (Go SEA)

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