UCSF

ZINC25563239

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 24 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) 2.41 7.12 -17.56 1 6 0 72 343.408 4
Hi High (pH 8-9.5) 2.23 6.04 -49.75 0 6 -1 78 342.4 4

Activity (Go SEA)

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