UCSF

ZINC40776235

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 24 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) -0.80 14.49 -172.33 4 5 3 44 334.532 10
Hi High (pH 8-9.5) -0.80 12.37 -90.94 3 5 2 43 333.524 10
Hi High (pH 8-9.5) -0.80 10.21 -24.38 2 5 1 41 332.516 10

Activity (Go SEA)

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