UCSF

ZINC45693214

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 19 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) -0.21 4.08 -44.86 3 5 1 54 289.469 10
Hi High (pH 8-9.5) -0.21 2.08 -14.33 2 5 0 53 288.461 10
Mid Mid (pH 6-8) -0.21 4.55 -39.77 3 5 1 54 289.469 10
Lo Low (pH 4.5-6) -0.21 6.54 -109.74 4 5 2 55 290.477 10

Activity (Go SEA)

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