UCSF

ZINC34685790

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 25 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) 0.21 4.02 -49.78 2 6 1 59 352.43 6
Hi High (pH 8-9.5) 0.21 2.64 -10.36 1 6 0 54 351.422 6
Mid Mid (pH 6-8) 0.21 6.29 -113.38 3 6 2 60 353.438 6

Activity (Go SEA)

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