UCSF

ZINC37831474

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.42 6.41 -41.5 1 3 1 25 231.747 1
Mid Mid (pH 6-8) 1.42 4.17 -7 0 3 0 24 230.739 1

Activity (Go SEA)

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