UCSF

ZINC31995000

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) 2.71 7.41 -41.84 2 2 1 20 279.835 2
Hi High (pH 8-9.5) 2.71 8.11 -37.84 2 2 1 16 279.835 2

Activity (Go SEA)

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