UCSF

ZINC19910546

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 12 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) 1.33 0.74 -7.31 1 5 0 64 162.152 2
Mid Mid (pH 6-8) 1.33 -0.01 -37.58 0 5 -1 62 161.144 2

Activity (Go SEA)

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