UCSF

ZINC37988432

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 19 Yes

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) 2.43 6.91 -37.13 2 3 1 39 275.397 7
Mid Mid (pH 6-8) 2.43 5.53 -6.09 1 3 0 34 274.389 7

Activity (Go SEA)

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