UCSF

ZINC36721963

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 18 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) 0.42 -2.61 -44.96 2 6 -1 108 299.3 4
Lo Low (pH 4.5-6) 0.42 -2.71 -15.85 3 6 0 106 300.308 4

Activity (Go SEA)

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