UCSF

ZINC36876395

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 1.77 6.35 -46.87 3 3 1 45 264.299 2
Lo Low (pH 4.5-6) 1.77 6.79 -112.39 4 3 2 47 265.307 2

Activity (Go SEA)

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