UCSF

ZINC20255163

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 17 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) -1.19 1.73 -48.56 1 6 0 82 262.331 3
Hi High (pH 8-9.5) -1.19 3.01 -57.33 0 6 -1 81 261.323 3

Activity (Go SEA)

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