UCSF

ZINC37831445

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 1.92 9.64 -69.93 1 5 0 65 284.4 9
Lo Low (pH 4.5-6) 1.92 7.57 -40.16 2 5 1 62 285.408 9

Activity (Go SEA)

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