UCSF

ZINC18254852

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2008 22 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) 6.26 9.68 -7.57 1 3 0 45 348.88 3
Ref Reference (pH 7) 6.26 9.28 -7.2 1 3 0 45 348.88 3
Hi High (pH 8-9.5) 6.71 8.18 -40.29 0 3 -1 48 347.872 3
Hi High (pH 8-9.5) 6.71 7.51 -41.13 0 3 -1 48 347.872 3

Activity (Go SEA)

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