UCSF

ZINC41198556

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 19 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) 1.81 5.01 -27.12 2 3 1 33 278.445 3
Hi High (pH 8-9.5) 1.81 7.68 -33.47 2 3 1 29 278.445 3
Mid Mid (pH 6-8) 1.81 7.37 -95.74 3 3 2 34 279.453 3

Activity (Go SEA)

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