UCSF

ZINC09211721

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 26 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) 5.24 12.47 -44.31 1 4 1 44 350.438 4
Hi High (pH 8-9.5) 5.24 9.5 -9.21 0 4 0 43 349.43 4

Activity (Go SEA)

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