UCSF

ZINC53664514

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 16 Yes

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) 0.82 6.92 -45.23 2 4 1 46 221.328 4
Mid Mid (pH 6-8) 0.82 7.42 -83.78 3 4 2 47 222.336 4

Activity (Go SEA)

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