UCSF

ZINC04901736

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 21 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) 0.91 -3.9 -13.63 3 6 0 99 285.255 3
Mid Mid (pH 6-8) 0.33 -4.07 -19.02 2 6 0 96 285.255 3

Activity (Go SEA)

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