UCSF

ZINC27108054

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 37 No

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) -5.16 6.18 -193.3 2 16 -3 255 525.447 19
Hi High (pH 8-9.5) -5.16 8.62 -180.19 2 16 -3 259 525.447 19
Lo Low (pH 4.5-6) -5.16 10.28 -140.75 3 16 -2 260 526.455 19

Activity (Go SEA)

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