UCSF

ZINC32110717

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 18 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) 1.02 3.38 -42.84 3 5 1 66 259.37 5
Hi High (pH 8-9.5) 1.02 1.89 -7.09 2 5 0 62 258.362 5

Activity (Go SEA)

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