UCSF

ZINC04139761

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 28 No

Download: MOL2 SDF SMILES Flexibase

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) 5.34 11.1 -13.39 1 5 0 62 400.544 8
Mid Mid (pH 6-8) 5.34 9.98 -44.4 2 5 0 63 401.552 8
Mid Mid (pH 6-8) 5.34 11.18 -51.14 2 5 0 63 401.552 8

Activity (Go SEA)

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