UCSF

ZINC24043111

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2009 23 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) 1.47 5.04 -19.5 1 6 0 72 311.341 5
Lo Low (pH 4.5-6) 1.47 5.41 -44.59 2 6 1 73 312.349 5

Activity (Go SEA)

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