UCSF

ZINC40094839

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.69 8.23 -53.31 0 5 -1 73 353.373 6
Lo Low (pH 4.5-6) 2.69 7.48 -12.83 1 5 0 71 354.381 6

Activity (Go SEA)

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