UCSF

ZINC57547582

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 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) 0.66 2.55 -12.86 2 6 0 79 291.351 1
Hi High (pH 8-9.5) 0.84 -0.1 -44.31 1 6 -1 85 290.343 1

Activity (Go SEA)

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