UCSF

ZINC15222495

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2008 19 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) 0.85 2.9 -9.79 2 6 0 83 279.321 3
Ref Reference (pH 7) 1.39 1.99 -17.78 2 6 0 83 279.321 4
Hi High (pH 8-9.5) 0.85 3.84 -49.26 1 6 -1 86 278.313 3
Hi High (pH 8-9.5) 1.39 1.99 -44.06 1 6 -1 85 278.313 4

Activity (Go SEA)

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