UCSF

ZINC42946340

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 21 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) 3.45 7.66 -116.04 4 3 2 41 314.901 9
Hi High (pH 8-9.5) 3.45 6.04 -40.45 3 3 1 40 313.893 9
Hi High (pH 8-9.5) 3.45 7.4 -32.72 3 3 1 40 313.893 9

Activity (Go SEA)

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