UCSF

ZINC37846942

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.37 -1.26 -9.14 3 6 0 79 279.34 4
Lo Low (pH 4.5-6) -0.37 1.04 -39.58 4 6 1 80 280.348 4

Activity (Go SEA)

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