UCSF

ZINC30726881

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 44 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) 6.03 9.89 -14.21 2 8 0 82 594.708 3
Hi High (pH 8-9.5) 6.03 10.61 -58.38 1 8 -1 84 593.7 3
Lo Low (pH 4.5-6) 6.03 12.64 -51.05 3 8 1 83 595.716 3
Lo Low (pH 4.5-6) 6.03 11.15 -64.13 3 8 1 86 595.716 3

Activity (Go SEA)

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