UCSF

ZINC37842166

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 2.51 8.2 -11.57 1 4 0 49 279.343 3
Lo Low (pH 4.5-6) 2.51 8.66 -43.89 2 4 1 50 280.351 3

Activity (Go SEA)

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