UCSF

ZINC43251737

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) 3.12 4.96 -42.84 3 2 1 31 261.842 6
Hi High (pH 8-9.5) 3.12 4.55 -0.98 2 2 0 29 260.834 6
Mid Mid (pH 6-8) 3.12 6.27 -33 3 2 1 30 261.842 6
Mid Mid (pH 6-8) 3.12 6.99 -107.7 4 2 2 32 262.85 6

Activity (Go SEA)

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