UCSF

ZINC41510663

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.89 9.17 -46.34 2 7 1 83 428.505 8
Mid Mid (pH 6-8) 3.89 9.7 -32.16 1 7 0 85 427.497 8

Activity (Go SEA)

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