UCSF

ZINC19131999

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2008 24 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) 3.55 8.44 -34.61 2 3 1 28 331.524 4
Lo Low (pH 4.5-6) 3.55 10.77 -107.69 3 3 2 29 332.532 4

Activity (Go SEA)

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