UCSF

ZINC42977876

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 24 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) 2.99 9.26 -50.36 1 5 1 53 340.346 8
Hi High (pH 8-9.5) 2.99 6.91 -10.49 0 5 0 52 339.338 8

Activity (Go SEA)

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