UCSF

ZINC40384379

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 22 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) 2.30 7.87 -48.23 1 5 -1 82 293.302 4
Lo Low (pH 4.5-6) 2.30 5.89 -13.57 2 5 0 79 294.31 4

Activity (Go SEA)

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