UCSF

ZINC39869946

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 33 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.98 9.98 -269.57 0 11 -4 186 463.383 6
Lo Low (pH 4.5-6) 2.98 10.39 -177.92 1 11 -3 184 464.391 6

Activity (Go SEA)

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