UCSF

ZINC19794896

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 20 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) 1.38 4.08 -49.87 3 7 1 91 299.738 4
Hi High (pH 8-9.5) 1.38 3.25 -51.13 3 7 1 95 299.738 4
Hi High (pH 8-9.5) 1.38 1.83 -11.98 2 7 0 90 298.73 4

Activity (Go SEA)

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