UCSF

ZINC36853637

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 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) -2.45 -2.36 -13.6 2 6 0 79 199.21 3
Hi High (pH 8-9.5) -2.45 -2.37 -14.79 2 6 0 79 199.21 3
Mid Mid (pH 6-8) -2.45 -1.09 -51.36 3 6 1 83 200.218 3
Mid Mid (pH 6-8) -2.26 -3.66 -43.18 2 6 0 89 199.21 3
Mid Mid (pH 6-8) -2.45 -1.09 -51.26 3 6 1 83 200.218 3
Lo Low (pH 4.5-6) -2.26 -3.67 -43.54 2 6 0 89 199.21 3

Activity (Go SEA)

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