UCSF

ZINC44513474

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 20 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) 0.28 2.95 -110.04 4 6 2 84 275.356 4
Lo Low (pH 4.5-6) 0.28 3.5 -165.28 5 6 3 85 276.364 4

Activity (Go SEA)

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