UCSF

ZINC34682321

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 28 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) 2.35 7.73 -41.15 3 6 1 70 391.442 5
Lo Low (pH 4.5-6) 2.35 8.07 -98.14 4 6 2 71 392.45 5

Activity (Go SEA)

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