UCSF

ZINC37049018

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) -0.11 3.98 -95.64 4 4 2 48 250.39 5
Mid Mid (pH 6-8) -0.11 3.57 -107.76 4 4 2 48 250.39 5
Mid Mid (pH 6-8) -0.11 1.71 -44.91 3 4 1 47 249.382 5

Activity (Go SEA)

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