UCSF

ZINC40118249

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 11 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.02 3.59 -71.32 1 4 -1 73 156.092 1
Mid Mid (pH 6-8) 0.64 2.25 -121.33 0 4 -2 76 155.084 1
Lo Low (pH 4.5-6) 0.64 1.73 -52.05 2 4 0 74 157.1 1

Activity (Go SEA)

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