UCSF

ZINC21793797

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 29 Yes

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) 1.89 7.9 -13.02 0 7 0 62 395.507 3
Lo Low (pH 4.5-6) 1.89 8.17 -38.6 1 7 1 63 396.515 3

Activity (Go SEA)

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