UCSF

ZINC65431216

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2011 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) 2.26 3.43 -35.6 2 4 1 38 271.425 6
Hi High (pH 8-9.5) 2.26 1.85 -2.3 1 4 0 34 270.417 6
Lo Low (pH 4.5-6) 2.26 5.42 -108.2 3 4 2 40 272.433 6

Activity (Go SEA)

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