UCSF

ZINC44261821

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 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) -0.25 -2.03 -52.65 4 5 1 87 232.26 3
Mid Mid (pH 6-8) -0.25 -2.36 -9.09 3 5 0 85 231.252 3
Mid Mid (pH 6-8) -0.25 -2.34 -42.86 3 5 0 89 231.252 3

Activity (Go SEA)

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