UCSF

ZINC42449479

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 2.63 6.92 -45.14 2 4 1 57 254.398 9
Mid Mid (pH 6-8) 2.63 5.05 -11.19 1 4 0 56 253.39 9

Activity (Go SEA)

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