UCSF

ZINC58245660

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2011 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) 1.74 4.29 -15.94 2 6 0 83 339.395 3
Hi High (pH 8-9.5) 1.74 5.1 -58.17 1 6 -1 85 338.387 3

Activity (Go SEA)

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