UCSF

ZINC43389577

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 4.25 8.99 -53.46 1 3 -1 52 292.717 4
Lo Low (pH 4.5-6) 4.25 7.02 -9.86 2 3 0 49 293.725 4

Activity (Go SEA)

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