UCSF

ZINC16549673

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 28 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) 5.67 9.72 -14.21 2 5 0 75 433.986 4
Hi High (pH 8-9.5) 6.12 8.36 -46.37 1 5 -1 78 432.978 4

Activity (Go SEA)

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