UCSF

ZINC05557023

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 28 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) 5.55 16.11 -13.22 0 4 0 43 384.87 3
Mid Mid (pH 6-8) 5.55 16.95 -48.51 2 4 1 47 385.878 3

Activity (Go SEA)

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