UCSF

ZINC37795872

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 1.06 5.38 -51.14 2 6 -1 98 275.284 4
Lo Low (pH 4.5-6) 1.06 3.39 -14.55 3 6 0 95 276.292 4

Activity (Go SEA)

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