UCSF

ZINC39975057

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 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) 3.87 6.64 -10.56 0 4 0 41 427.339 4
Mid Mid (pH 6-8) 3.87 8.85 -55.21 1 4 1 42 428.347 4

Activity (Go SEA)

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