UCSF

ZINC32598309

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2009 18 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) 3.55 8.16 -34.1 1 2 1 8 251.438 2
Lo Low (pH 4.5-6) 3.55 10.56 -100.75 2 2 2 9 252.446 2

Activity (Go SEA)

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