UCSF

ZINC24961003

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 26 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) 0.57 2.29 -25.33 2 8 0 99 364.446 2
Hi High (pH 8-9.5) 0.75 0.5 -51.83 1 8 -1 105 363.438 2

Activity (Go SEA)

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