UCSF

ZINC21637859

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 24 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) 2.67 7.89 -44.51 2 6 1 63 332.472 3
Mid Mid (pH 6-8) 2.67 5.43 -9.29 1 6 0 61 331.464 3

Activity (Go SEA)

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