UCSF

ZINC34939353

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 3.40 5.52 -41.86 0 2 -1 40 248.06 2
Mid Mid (pH 6-8) 2.65 7.88 -14.12 0 2 0 34 249.068 3

Activity (Go SEA)

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