UCSF

ZINC37791766

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) 1.38 7.64 -57.1 2 5 0 74 276.336 6
Hi High (pH 8-9.5) 1.38 5.1 -53.02 1 5 -1 72 275.328 6
Lo Low (pH 4.5-6) 1.38 5.56 -41.97 3 5 1 71 277.344 6

Activity (Go SEA)

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