UCSF

ZINC36801561

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 21 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) -1.20 0.7 -15.71 2 7 0 91 288.307 1
Hi High (pH 8-9.5) -1.01 -1.94 -46.65 1 7 -1 98 287.299 1

Activity (Go SEA)

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