UCSF

ZINC52570287

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 15 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) 0.77 3.44 -41.82 2 4 1 38 211.333 6
Hi High (pH 8-9.5) 0.77 1.99 -4.79 1 4 0 33 210.325 6
Lo Low (pH 4.5-6) 0.77 5.13 -119.44 3 4 2 39 212.341 6

Activity (Go SEA)

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