UCSF

ZINC14883440

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2008 37 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) 4.43 12.28 -17.51 0 7 0 74 497.595 9
Lo Low (pH 4.5-6) 4.43 14.88 -117.31 2 7 2 76 499.611 9
Lo Low (pH 4.5-6) 4.43 12.71 -44.77 1 7 1 75 498.603 9

Activity (Go SEA)

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