UCSF

ZINC42449541

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) 1.84 7.65 -42.83 1 4 1 49 252.382 5
Mid Mid (pH 6-8) 1.84 6 -9.12 0 4 0 47 251.374 5

Activity (Go SEA)

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