UCSF

ZINC01021460

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 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) 4.84 7.36 -13.63 2 5 0 71 456.134 5
Ref Reference (pH 7) 4.84 7.71 -16.72 2 5 0 71 456.134 5
Hi High (pH 8-9.5) 4.84 8.48 -65.06 1 5 -1 74 455.126 5
Hi High (pH 8-9.5) 4.84 8.12 -47.08 1 5 -1 74 455.126 5

Activity (Go SEA)

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