UCSF

ZINC51488985

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 18 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) 1.91 8.61 -39.88 2 3 1 33 244.362 4
Mid Mid (pH 6-8) 1.91 9.08 -92.62 3 3 2 34 245.37 4

Activity (Go SEA)

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