UCSF

ZINC38538915

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 16 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) 0.89 3.81 -41.2 3 3 1 40 225.287 3
Mid Mid (pH 6-8) 0.88 1.77 -49.33 3 3 1 40 225.287 3
Lo Low (pH 4.5-6) 0.89 4.1 -124.29 4 3 2 41 226.295 3

Activity (Go SEA)

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