UCSF

ZINC37042284

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) -0.04 0.49 -104.6 7 6 2 104 284.404 4
Mid Mid (pH 6-8) -0.04 0.61 -43.26 6 6 1 103 283.396 4

Activity (Go SEA)

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