UCSF

ZINC32550922

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2009 25 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) 2.31 5.43 -14.16 1 6 0 58 340.427 5
Lo Low (pH 4.5-6) 2.31 5.86 -45.25 2 6 1 59 341.435 5

Activity (Go SEA)

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