UCSF

ZINC12437339

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 26 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) 1.17 1.9 -18.3 1 7 0 75 377.466 6
Lo Low (pH 4.5-6) 1.17 5.16 -104.15 3 7 2 78 379.482 6
Lo Low (pH 4.5-6) 1.17 2.82 -35.16 2 7 1 76 378.474 6

Activity (Go SEA)

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