UCSF

ZINC35991603

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2009 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.53 11.18 -11.48 1 7 0 65 452.53 7
Mid Mid (pH 6-8) 4.53 12.83 -44.51 2 7 1 66 453.538 7

Activity (Go SEA)

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