UCSF

ZINC39226995

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 26 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) 4.84 13.1 -46.55 1 3 1 31 350.482 4
Hi High (pH 8-9.5) 4.84 10.89 -7.02 0 3 0 30 349.474 4

Activity (Go SEA)

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