UCSF

ZINC19905886

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.59 9.36 -110.36 3 2 2 21 319.262 6
Hi High (pH 8-9.5) 3.59 8.17 -36.63 2 2 1 16 318.254 6

Activity (Go SEA)

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