UCSF

ZINC05714877

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 26 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) 5.29 11.7 -18.87 1 4 0 50 343.43 3
Mid Mid (pH 6-8) 5.75 10.35 -51.87 0 4 -1 53 342.422 3

Activity (Go SEA)

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