UCSF

ZINC32879564

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2009 15 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) 1.10 2.41 -9.15 0 4 0 43 222.317 2
Lo Low (pH 4.5-6) 1.10 5.12 -106.08 2 4 2 46 224.333 2
Lo Low (pH 4.5-6) 1.10 4.72 -50.87 1 4 1 44 223.325 2
Lo Low (pH 4.5-6) 1.10 2.81 -35.01 1 4 1 44 223.325 2

Activity (Go SEA)

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