UCSF

ZINC00080048

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 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) 2.37 6.61 -11.05 2 5 0 71 339.42 5
Hi High (pH 8-9.5) 1.47 5.39 -42.17 1 5 -1 73 338.412 5

Activity (Go SEA)

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