UCSF

ZINC39753795

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 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) 4.85 8.11 -20.16 3 8 0 113 446.488 6
Hi High (pH 8-9.5) 4.92 7.23 -54.17 2 8 -1 120 445.48 6

Activity (Go SEA)

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