UCSF

ZINC41197740

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 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) 3.49 6.73 -29.52 2 3 1 39 297.488 6
Mid Mid (pH 6-8) 3.49 5.59 -7.22 1 3 0 34 296.48 6

Activity (Go SEA)

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