UCSF

ZINC41668086

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 Yes

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) 5.19 10.25 -11.99 0 5 0 52 427.5 5
Mid Mid (pH 6-8) 5.19 13.12 -52.46 1 5 1 53 428.508 5

Activity (Go SEA)

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