UCSF

ZINC39870106

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 24 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.73 8.81 -41.9 0 4 -1 57 336.44 6
Mid Mid (pH 6-8) 4.73 9.4 -14.39 1 4 0 55 337.448 6

Activity (Go SEA)

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