UCSF

ZINC19519800

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 20 No

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) 1.60 1 -41.63 1 6 -1 94 290.324 4
Mid Mid (pH 6-8) 1.60 0.93 -15.13 2 6 0 92 291.332 4

Activity (Go SEA)

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