UCSF

ZINC39911541

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 33 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) 4.68 7.12 -14.16 3 7 0 99 449.551 9
Hi High (pH 8-9.5) 4.68 8.23 -40.22 2 7 -1 102 448.543 9

Activity (Go SEA)

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