UCSF

ZINC05392678

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 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) 2.65 4.5 -39.99 0 7 -1 103 307.307 5
Mid Mid (pH 6-8) 2.65 4.46 -10.09 1 7 0 101 308.315 5

Activity (Go SEA)

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