UCSF

ZINC32525022

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2009 28 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) 2.88 3.48 -63.67 0 8 -1 112 464.328 5
Lo Low (pH 4.5-6) 2.88 3.41 -26.22 1 8 0 110 465.336 5

Activity (Go SEA)

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