UCSF

ZINC44722507

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 17 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) 0.93 3.85 -35.63 3 4 1 46 240.371 6
Lo Low (pH 4.5-6) 0.93 5.02 -100.93 4 4 2 50 241.379 6
Lo Low (pH 4.5-6) 0.93 2.74 -38.95 3 4 1 49 240.371 6

Activity (Go SEA)

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