UCSF

ZINC05730522

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 23 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) 2.75 5.78 -22.34 2 6 0 84 309.325 4
Ref Reference (pH 7) 2.75 5.92 -15.05 2 6 0 84 309.325 4
Hi High (pH 8-9.5) 3.21 4.17 -46.26 1 6 -1 87 308.317 4
Hi High (pH 8-9.5) 3.21 3.9 -60.93 1 6 -1 87 308.317 4

Activity (Go SEA)

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