UCSF

ZINC39907572

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 29 Yes

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) 7.11 15.32 -11.81 0 3 0 27 404.941 8
Lo Low (pH 4.5-6) 7.11 15.84 -36.39 1 3 1 28 405.949 8

Activity (Go SEA)

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