UCSF

ZINC17820390

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2008 24 No

Other Names:

MFCD03505243

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) 5.44 7.93 -40.31 0 4 -1 53 378.26 4
Ref Reference (pH 7) 5.93 8.54 -6.95 1 4 0 54 379.268 3
Ref Reference (pH 7) 5.93 8.11 -6.73 1 4 0 54 379.268 3

Activity (Go SEA)

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