UCSF

ZINC36785022

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 2.14 6.09 -46.01 3 2 1 31 233.379 6
Hi High (pH 8-9.5) 2.14 5.86 -1.85 2 2 0 29 232.371 6
Mid Mid (pH 6-8) 2.14 6.55 -28.43 3 2 1 30 233.379 6
Mid Mid (pH 6-8) 2.14 6.91 -120.82 4 2 2 32 234.387 6

Activity (Go SEA)

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