UCSF

ZINC22885303

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 27 No

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) 2.53 6.16 -9.12 1 8 0 91 378.473 6
Mid Mid (pH 6-8) 2.53 8.38 -44.43 2 8 1 92 379.481 6

Activity (Go SEA)

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