UCSF

ZINC34667866

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 3.55 11.26 -52.26 2 5 1 50 405.444 6
Mid Mid (pH 6-8) 3.55 9.04 -10.87 1 5 0 48 404.436 6
Mid Mid (pH 6-8) 3.55 9.36 -36.82 2 5 1 50 405.444 6
Mid Mid (pH 6-8) 3.55 11.6 -111.22 3 5 2 51 406.452 6

Activity (Go SEA)

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