UCSF

ZINC50274504

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2010 23 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) 2.97 9.23 -46.25 2 5 1 54 326.505 11
Hi High (pH 8-9.5) 2.97 7.04 -15.82 1 5 0 53 325.497 11

Activity (Go SEA)

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