UCSF

ZINC41291925

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 21 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) 2.04 7.9 -18.28 0 5 0 47 287.363 2
Mid Mid (pH 6-8) 2.04 8.19 -32.53 1 5 1 48 288.371 2

Activity (Go SEA)

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