UCSF

ZINC13531687

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 15 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) 2.22 6.32 -45.6 4 3 1 56 210.345 9
Mid Mid (pH 6-8) 2.22 6.79 -80.45 5 3 2 58 211.353 9
Mid Mid (pH 6-8) 2.22 6.29 -45.7 4 3 1 56 210.345 9

Activity (Go SEA)

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