UCSF

ZINC16614167

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 31 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) 2.50 6.81 -21.32 1 8 0 84 446.573 11
Hi High (pH 8-9.5) 2.32 5.72 -47.98 0 8 -1 90 445.565 11

Activity (Go SEA)

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