UCSF

ZINC37830099

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.78 5.6 -57.41 1 5 -1 81 262.285 6
Lo Low (pH 4.5-6) 0.78 3.67 -15.92 2 5 0 78 263.293 6

Activity (Go SEA)

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