UCSF

ZINC20244585

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -2.82 -0.28 -60.99 3 8 -1 135 254.222 4
Mid Mid (pH 6-8) -2.37 -1.42 -97.37 2 8 -2 138 253.214 4

Activity (Go SEA)

Rings

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