UCSF

ZINC21097210

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 23 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 6.63 -19.16 2 6 0 84 348.815 6
Mid Mid (pH 6-8) 2.82 6.47 -47.46 1 6 -1 82 347.807 6

Activity (Go SEA)

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