UCSF

ZINC37835827

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) 1.83 5.97 -54.93 1 5 -1 81 282.36 5
Lo Low (pH 4.5-6) 1.83 4.97 -12.37 2 5 0 78 283.368 5

Activity (Go SEA)

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