UCSF

ZINC24776659

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2009 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) 1.54 4.95 -15.51 1 5 0 69 272.352 2
Lo Low (pH 4.5-6) 1.54 5.37 -51.7 2 5 1 70 273.36 2

Activity (Go SEA)

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