UCSF

ZINC39847723

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 37 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.81 12.7 -73.41 1 7 0 83 502.611 11
Lo Low (pH 4.5-6) 4.81 11.95 -46.89 2 7 1 81 503.619 11

Activity (Go SEA)

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