UCSF

ZINC05408809

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 26 No

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) 1.92 4.29 -61.07 1 6 -1 88 356.329 5
Mid Mid (pH 6-8) 2.37 -1.02 -21.92 2 6 0 84 357.337 4

Activity (Go SEA)

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