UCSF

ZINC43425629

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 No

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) 1.64 3.46 -39.75 4 5 1 72 256.37 5
Mid Mid (pH 6-8) 1.64 1.26 -7.26 3 5 0 71 255.362 5
Lo Low (pH 4.5-6) 1.64 3.41 -88.55 5 5 2 74 257.378 5

Activity (Go SEA)

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