UCSF

ZINC08143758

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2006 40 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) -5.97 -19.58 -284.63 21 18 4 338 589.64 10
Hi High (pH 8-9.5) -5.97 -20.4 -122.39 19 18 2 335 587.624 10
Hi High (pH 8-9.5) -5.97 -20.85 -65.19 18 18 1 334 586.616 10
Mid Mid (pH 6-8) -5.97 -20.01 -215.94 20 18 3 337 588.632 10

Activity (Go SEA)

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