UCSF

ZINC04160869

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 20 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) 2.24 6.24 -23.86 1 5 0 64 293.323 3
Hi High (pH 8-9.5) 2.43 3.4 -56.45 0 5 -1 70 292.315 3

Activity (Go SEA)

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