UCSF

ZINC14999431

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 25 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) 4.92 10.35 -42.7 2 3 1 39 335.471 6
Lo Low (pH 4.5-6) 4.92 10.63 -97.68 3 3 2 40 336.479 6

Activity (Go SEA)

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