UCSF

ZINC37794075

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.81 7.82 -62.24 1 5 -1 82 278.328 6
Lo Low (pH 4.5-6) 1.81 5.35 -15.09 2 5 0 80 279.336 6

Activity (Go SEA)

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