UCSF

ZINC21039246

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 29 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) 2.68 7.42 -11.16 0 7 0 60 398.507 7
Mid Mid (pH 6-8) 2.68 9.82 -55.64 1 7 1 61 399.515 7

Activity (Go SEA)

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