UCSF

ZINC20178984

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 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) -0.13 2.93 -124.35 5 3 2 52 240.322 3
Mid Mid (pH 6-8) -0.13 1.07 -49.08 4 3 1 51 239.314 3

Activity (Go SEA)

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