UCSF

ZINC25045676

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 30 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) 2.94 11.26 -58.67 2 7 1 70 407.494 6
Hi High (pH 8-9.5) 2.94 8.92 -18.38 1 7 0 69 406.486 6

Activity (Go SEA)

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