UCSF

ZINC18996615

Substance Information

In ZINC since Heavy atoms Benign functionality
October 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) 4.54 7.63 -7.2 1 3 0 45 286.381 2
Ref Reference (pH 7) 4.05 7.13 -38.98 0 3 -1 44 285.373 3
Hi High (pH 8-9.5) 5.00 5.45 -42.8 0 3 -1 48 285.373 2
Hi High (pH 8-9.5) 5.00 6.12 -41.26 0 3 -1 48 285.373 2

Activity (Go SEA)

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