UCSF

ZINC08048433

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2006 17 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) 1.96 6.43 -7.33 1 4 0 54 247.323 2
Ref Reference (pH 7) 2.50 5.51 -15.13 1 4 0 54 247.323 3
Hi High (pH 8-9.5) 2.50 5.38 -42.71 0 4 -1 56 246.315 3

Activity (Go SEA)

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