UCSF

ZINC32057046

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 19 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) 1.38 2.84 -40.92 3 4 1 49 287.811 9
Lo Low (pH 4.5-6) 1.38 4.79 -117.5 4 4 2 51 288.819 9

Activity (Go SEA)

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