UCSF

ZINC39761502

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 30 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) 5.11 12.08 -19.27 1 6 0 73 441.557 6
Hi High (pH 8-9.5) 5.30 10.67 -54.19 0 6 -1 79 440.549 6

Activity (Go SEA)

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