UCSF

ZINC04124888

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 25 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) 1.40 -0.85 -18.37 1 7 0 92 360.439 5
Hi High (pH 8-9.5) 1.59 5.37 -51.65 0 7 -1 99 359.431 5

Activity (Go SEA)

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