UCSF

ZINC21807524

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.26 10 -55.5 0 4 -1 58 320.155 3
Mid Mid (pH 6-8) 4.26 10.45 -59.87 1 4 0 59 321.163 3

Activity (Go SEA)

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