UCSF

ZINC25446688

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 26 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) 3.16 6.41 -18.27 2 7 0 93 376.482 9
Hi High (pH 8-9.5) 2.98 5.34 -43.01 1 7 -1 100 375.474 9

Activity (Go SEA)

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