UCSF

ZINC40279508

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.87 10.5 -14.29 1 7 0 75 445.519 8
Lo Low (pH 4.5-6) 3.87 11.76 -37.09 2 7 1 76 446.527 8

Activity (Go SEA)

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