UCSF

ZINC36775731

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 21 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) 2.33 7.29 -131.75 4 3 2 45 291.483 5
Mid Mid (pH 6-8) 2.33 5.38 -46.4 3 3 1 44 290.475 5

Activity (Go SEA)

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