UCSF

ZINC20179634

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 19 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) 2.15 6.31 -120.71 4 3 2 35 283.847 5
Mid Mid (pH 6-8) 2.15 4 -47.33 3 3 1 34 282.839 5

Activity (Go SEA)

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