UCSF

ZINC39326587

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 23 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) 2.89 8.87 -38.2 1 4 1 44 331.509 4
Mid Mid (pH 6-8) 2.89 8.77 -38.12 1 4 1 44 331.509 4
Mid Mid (pH 6-8) 2.89 6.5 -6.07 0 4 0 43 330.501 4

Activity (Go SEA)

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