UCSF

ZINC06494991

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 26 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) 3.40 7.97 -14.89 1 8 0 106 369.358 4
Hi High (pH 8-9.5) 3.47 5.96 -36.76 0 8 -1 113 368.35 4

Activity (Go SEA)

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