UCSF

ZINC34133330

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 18 No

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) 2.79 2.93 -42.69 1 3 -1 56 276.362 3
Lo Low (pH 4.5-6) 2.33 4.76 -9.23 2 3 0 53 277.37 3

Activity (Go SEA)

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