UCSF

ZINC08710302

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 34 Yes

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) 3.87 -4.24 -23.22 2 8 0 106 478.526 6
Hi High (pH 8-9.5) 3.87 -3.67 -58.09 1 8 -1 108 477.518 6

Activity (Go SEA)

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