UCSF

ZINC39227301

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.22 13.6 -52.03 1 5 1 51 433.572 2
Hi High (pH 8-9.5) 4.22 11.21 -12.42 0 5 0 50 432.564 2

Activity (Go SEA)

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