UCSF

ZINC19510057

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 19 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) -0.15 3.36 -43.7 3 4 1 57 261.345 1
Mid Mid (pH 6-8) -0.15 2.01 -10.73 2 4 0 53 260.337 1

Activity (Go SEA)

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