UCSF

ZINC05392779

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 22 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) 4.24 7.14 -45.7 0 4 -1 61 394.295 4
Mid Mid (pH 6-8) 5.17 7.37 -14.73 1 4 0 62 395.303 3

Activity (Go SEA)

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