UCSF

ZINC53138951

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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) 1.80 5.96 -3.68 0 3 0 16 244.338 4
Mid Mid (pH 6-8) 1.80 8.37 -34.5 1 3 1 17 245.346 4

Activity (Go SEA)

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