UCSF

ZINC34691868

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 33 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) 2.05 6.41 -11.8 0 7 0 54 453.583 9
Mid Mid (pH 6-8) 2.05 8.68 -39.32 1 7 1 56 454.591 9
Lo Low (pH 4.5-6) 2.05 10.98 -100.32 2 7 2 57 455.599 9

Activity (Go SEA)

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