UCSF

ZINC42909954

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 3.61 8.26 -106.02 4 2 2 32 264.457 5
Hi High (pH 8-9.5) 3.61 7.95 -29.31 3 2 1 30 263.449 5
Hi High (pH 8-9.5) 3.61 6.5 -41.2 3 2 1 31 263.449 5

Activity (Go SEA)

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