UCSF

ZINC19911459

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 24 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) 6.11 9.89 -39.44 0 3 -1 44 353.854 4
Mid Mid (pH 6-8) 6.11 10.4 -19.95 1 3 0 42 354.862 4

Activity (Go SEA)

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