UCSF

ZINC40747480

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 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) 3.68 6.7 -32.33 2 2 1 16 251.438 3
Mid Mid (pH 6-8) 3.68 5.88 -34.88 2 2 1 20 251.438 3
Mid Mid (pH 6-8) 3.68 7.98 -99.56 3 2 2 21 252.446 3

Activity (Go SEA)

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