UCSF

ZINC44651797

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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) 3.11 6.72 -28.69 3 3 1 42 260.405 4
Hi High (pH 8-9.5) 3.11 6.13 -4.82 2 3 0 41 259.397 4
Mid Mid (pH 6-8) 3.11 7.31 -39.53 3 3 1 45 260.405 4

Activity (Go SEA)

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