UCSF

ZINC41652936

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 1.74 4.34 -9.88 3 4 0 68 275.739 4
Lo Low (pH 4.5-6) 1.74 4.8 -39.12 4 4 1 69 276.747 4

Activity (Go SEA)

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