UCSF

ZINC36637504

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 28 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) 3.73 10.5 -50.93 1 6 1 56 400.524 7
Hi High (pH 8-9.5) 3.73 8.03 -10.57 0 6 0 55 399.516 7

Activity (Go SEA)

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