UCSF

ZINC52795263

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2010 25 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) 2.66 7.89 -53.15 2 7 1 96 364.447 9
Hi High (pH 8-9.5) 2.66 5.56 -11.97 1 7 0 95 363.439 9

Activity (Go SEA)

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