UCSF

ZINC43252359

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 16 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) 3.25 5.16 -43.11 3 2 1 31 261.842 6
Hi High (pH 8-9.5) 3.25 4.42 -1.31 2 2 0 29 260.834 6
Mid Mid (pH 6-8) 3.25 6.63 -32.98 3 2 1 30 261.842 6
Mid Mid (pH 6-8) 3.25 6.96 -116.25 4 2 2 32 262.85 6

Activity (Go SEA)

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