UCSF

ZINC13496799

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 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) 2.01 1.82 -22.89 4 7 0 105 365.436 5
Ref Reference (pH 7) 1.33 1.79 -21.08 4 7 0 103 365.436 6
Hi High (pH 8-9.5) 2.01 1.96 -44.12 3 7 -1 103 364.428 5
Hi High (pH 8-9.5) 2.01 1.41 -43.87 3 7 -1 103 364.428 5

Activity (Go SEA)

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