UCSF

ZINC62983454

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 15 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) -0.90 1.34 -48.35 4 6 1 83 215.277 3
Hi High (pH 8-9.5) -0.90 -1.07 -14.52 3 6 0 82 214.269 3

Activity (Go SEA)

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