UCSF

ZINC29102740

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 26 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) 3.12 9.86 -15.02 1 5 0 53 351.45 5
Mid Mid (pH 6-8) 3.12 9.9 -67.54 2 5 0 54 352.458 5

Activity (Go SEA)

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