UCSF

ZINC32499247

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 26 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) 1.72 5.78 -18.02 1 6 0 66 355.438 6
Mid Mid (pH 6-8) 1.72 8.07 -57.69 2 6 1 67 356.446 6

Activity (Go SEA)

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