UCSF

ZINC21009200

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 20 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) 4.99 7.45 -50.04 3 3 1 46 345.301 9
Mid Mid (pH 6-8) 4.99 8.22 -63.28 2 3 0 49 344.293 9

Activity (Go SEA)

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