UCSF

ZINC20028575

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 32 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) 4.20 12.54 -57.56 2 7 0 65 485.967 7
Mid Mid (pH 6-8) 3.65 12.24 -53.27 3 7 1 71 486.975 7

Activity (Go SEA)

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