UCSF

ZINC32088109

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 23 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) 1.92 0.66 -17.9 2 7 0 102 356.425 6
Hi High (pH 8-9.5) 1.92 0.73 -46.81 1 7 -1 104 355.417 6

Activity (Go SEA)

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