UCSF

ZINC20577798

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 16 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) -0.12 5.11 -52.7 3 3 1 54 230.234 5
Mid Mid (pH 6-8) -0.12 4.8 -9.17 2 3 0 52 229.226 5

Activity (Go SEA)

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