UCSF

ZINC21755486

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 28 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) 4.39 7.67 -15.06 1 6 0 80 461.337 4
Mid Mid (pH 6-8) 4.39 7.67 -55.34 0 6 -1 82 460.329 4

Activity (Go SEA)

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