UCSF

ZINC23358078

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 27 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) 3.39 8.49 -41.51 2 4 1 37 369.529 9
Lo Low (pH 4.5-6) 3.39 10.78 -121.73 3 4 2 38 370.537 9
Lo Low (pH 4.5-6) 3.39 8.57 -43.75 2 4 1 37 369.529 9

Activity (Go SEA)

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