UCSF

ZINC19460559

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 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) 2.97 9.37 -56.43 2 6 1 80 383.399 4
Mid Mid (pH 6-8) 2.97 8.49 -11.79 1 6 0 76 382.391 4

Activity (Go SEA)

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