UCSF

ZINC70514952

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 2.02 4.82 -30.3 3 4 1 49 295.447 6
Hi High (pH 8-9.5) 2.02 4.51 -2.26 2 4 0 45 294.439 6
Lo Low (pH 4.5-6) 2.02 4.36 -100.29 4 4 2 51 296.455 6

Activity (Go SEA)

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