UCSF

ZINC05129654

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2006 25 No

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 4.71 -11.53 0 6 0 60 401.264 3
Lo Low (pH 4.5-6) 2.88 7.67 -94.24 2 6 2 62 403.28 3
Lo Low (pH 4.5-6) 2.88 5.17 -32.75 1 6 1 61 402.272 3
Lo Low (pH 4.5-6) 2.88 7.02 -47.15 1 6 1 61 402.272 3
Lo Low (pH 4.5-6) 2.88 6.75 -49.12 1 6 1 61 402.272 3
Lo Low (pH 4.5-6) 2.88 4.87 -40.58 1 6 1 61 402.272 3

Activity (Go SEA)

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