UCSF

ZINC52283646

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 26 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) 2.28 8.99 -17.13 3 6 0 84 357.433 5
Lo Low (pH 4.5-6) 2.28 9.44 -38.49 4 6 1 85 358.441 5
Lo Low (pH 4.5-6) 2.28 9.36 -38.1 4 6 1 85 358.441 5

Activity (Go SEA)

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