UCSF

ZINC42580536

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 17 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) 3.05 5.89 -40.56 3 2 1 31 241.443 8
Mid Mid (pH 6-8) 3.05 7.43 -26.1 3 2 1 30 241.443 8
Mid Mid (pH 6-8) 3.05 7.37 -115.63 4 2 2 32 242.451 8

Activity (Go SEA)

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