UCSF

ZINC18085551

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 20 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) 4.21 7.19 -34.51 0 3 -1 44 303.363 3
Ref Reference (pH 7) 4.70 7.28 -6.23 1 3 0 45 304.371 2
Hi High (pH 8-9.5) 5.16 6.19 -36.95 0 3 -1 48 303.363 2
Hi High (pH 8-9.5) 5.16 5.52 -38.33 0 3 -1 48 303.363 2

Activity (Go SEA)

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