UCSF

ZINC41584189

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 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) 6.71 12.42 -42.29 2 6 1 73 531.467 9
Mid Mid (pH 6-8) 6.71 13.08 -27.35 1 6 0 76 530.459 9

Activity (Go SEA)

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