UCSF

ZINC13492500

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 22 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) 3.26 0.7 -10.79 3 7 0 99 299.334 5
Lo Low (pH 4.5-6) 3.26 1.55 -28.64 4 7 1 100 300.342 5
Lo Low (pH 4.5-6) 3.26 -3.2 -26.97 4 7 1 100 300.342 5

Activity (Go SEA)

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