UCSF

ZINC39912626

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 35 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) 4.64 9.53 -15.18 2 7 0 91 468.557 7
Hi High (pH 8-9.5) 4.64 10.38 -42.99 1 7 -1 94 467.549 7

Activity (Go SEA)

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