UCSF

ZINC20744385

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 31 Yes

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) 1.73 4.93 -20.78 3 8 0 114 415.453 4
Ref Reference (pH 7) 1.54 7.34 -17.37 3 8 0 110 415.453 4

Activity (Go SEA)

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