UCSF

ZINC40746559

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 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) 3.31 6.43 -29.21 2 2 1 16 237.411 2
Mid Mid (pH 6-8) 3.31 7.57 -32.96 2 2 1 20 237.411 2
Mid Mid (pH 6-8) 3.31 7.7 -98.55 3 2 2 21 238.419 2

Activity (Go SEA)

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