UCSF

ZINC36640341

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 34 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) 7.17 17.98 -56.65 1 4 1 38 472.678 9
Hi High (pH 8-9.5) 7.17 15.56 -14.41 0 4 0 36 471.67 9

Activity (Go SEA)

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