UCSF

ZINC21506930

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 12 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) 2.61 5.35 -3.33 1 2 0 25 182.654 3
Lo Low (pH 4.5-6) 2.61 5.8 -30.67 2 2 1 26 183.662 3

Activity (Go SEA)

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