UCSF

ZINC25143784

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 29 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) 2.31 9.5 -28.51 1 10 0 124 417.447 7
Hi High (pH 8-9.5) 2.38 8.43 -53.48 0 10 -1 130 416.439 7

Activity (Go SEA)

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