UCSF

ZINC32974298

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2009 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) 1.30 7.73 -48.59 2 8 1 82 434.557 9
Hi High (pH 8-9.5) 1.30 5.11 -17.96 1 8 0 80 433.549 9
Hi High (pH 8-9.5) 1.49 3.67 -11.61 1 8 0 84 433.549 9

Activity (Go SEA)

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