UCSF

ZINC41573179

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 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) 0.70 0.78 -9.43 1 6 0 58 310.423 3
Mid Mid (pH 6-8) 0.70 3.5 -47.73 2 6 1 59 311.431 3
Lo Low (pH 4.5-6) 0.70 5.76 -87.35 3 6 2 60 312.439 3

Activity (Go SEA)

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