UCSF

ZINC19972741

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 22 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) -1.66 1.5 -77.12 3 7 0 110 305.334 7
Hi High (pH 8-9.5) -1.66 0.01 -60.55 2 7 -1 106 304.326 7

Activity (Go SEA)

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