UCSF

ZINC42901076

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 15 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) 1.50 5.87 -106.56 4 2 2 32 206.333 4
Mid Mid (pH 6-8) 1.50 4.67 -36.38 3 2 1 31 205.325 4
Mid Mid (pH 6-8) 1.50 5.56 -29.11 3 2 1 30 205.325 4

Activity (Go SEA)

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