UCSF

ZINC19848448

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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 2.2 -17.95 1 7 0 75 377.466 6
Lo Low (pH 4.5-6) 1.17 5.46 -105.95 3 7 2 78 379.482 6
Lo Low (pH 4.5-6) 1.17 3.13 -37.14 2 7 1 76 378.474 6

Activity (Go SEA)

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