UCSF

ZINC37786591

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) 1.92 6.42 -35.48 2 4 1 34 279.452 4
Lo Low (pH 4.5-6) 1.92 7.61 -108.67 3 4 2 39 280.46 4
Lo Low (pH 4.5-6) 1.92 5.49 -42.23 2 4 1 38 279.452 4

Activity (Go SEA)

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