UCSF

ZINC28097404

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 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) 1.44 7.32 -16.8 2 6 0 80 305.341 5
Lo Low (pH 4.5-6) 1.44 7.76 -51.26 3 6 1 81 306.349 5

Activity (Go SEA)

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