UCSF

ZINC04889142

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 25 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) 3.68 9.49 -19.41 2 4 0 65 367.499 4
Mid Mid (pH 6-8) 4.20 -2.25 -8.07 1 4 0 65 367.499 4

Activity (Go SEA)

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