UCSF

ZINC45108893

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2010 18 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) 2.90 8.76 -49.49 1 3 1 22 266.796 4
Hi High (pH 8-9.5) 2.90 6.35 -7.33 0 3 0 21 265.788 4
Lo Low (pH 4.5-6) 2.90 9.14 -90.4 2 3 2 24 267.804 4

Activity (Go SEA)

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