UCSF

ZINC19904988

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 18 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) 2.04 5.82 -37.4 2 4 1 44 248.35 5
Mid Mid (pH 6-8) 2.04 4.63 -9.65 1 4 0 39 247.342 5

Activity (Go SEA)

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