UCSF

ZINC12020261

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 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) 1.92 4.31 -50.14 2 10 1 127 500.619 11
Hi High (pH 8-9.5) 1.92 4.47 -47.79 1 10 0 130 499.611 11

Activity (Go SEA)

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