UCSF

ZINC21594630

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 24 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) 3.48 10.68 -14.21 0 5 0 52 354.46 4
Mid Mid (pH 6-8) 3.48 11.09 -36.52 1 5 1 53 355.468 4
Lo Low (pH 4.5-6) 3.48 11.58 -88.63 2 5 2 55 356.476 4

Activity (Go SEA)

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