UCSF

ZINC34692443

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 36 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) 4.31 12.07 -20.5 1 6 0 72 489.591 7
Lo Low (pH 4.5-6) 4.31 12.53 -55.01 2 6 1 73 490.599 7

Activity (Go SEA)

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