UCSF

ZINC19885161

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 14 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) 2.17 6.07 -49.43 2 3 1 43 259.123 5
Mid Mid (pH 6-8) 2.17 4.66 -7.08 1 3 0 38 258.115 5

Activity (Go SEA)

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