UCSF

ZINC31824883

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 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) 3.93 9.15 -14.2 1 7 0 66 452.578 7
Mid Mid (pH 6-8) 3.93 11.38 -61.27 2 7 1 67 453.586 7

Activity (Go SEA)

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