UCSF

ZINC25453413

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 2.53 2.42 -48.22 1 6 -1 90 392.766 6
Lo Low (pH 4.5-6) 2.53 2.34 -17.6 2 6 0 88 393.774 6

Activity (Go SEA)

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