UCSF

ZINC41584231

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 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) 6.74 12.42 -42.73 2 7 1 86 455.575 14
Mid Mid (pH 6-8) 6.74 13.13 -25.72 1 7 0 89 454.567 14

Activity (Go SEA)

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