UCSF

ZINC39853956

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 24 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) 4.04 8.04 -13.15 1 5 0 64 324.38 4
Hi High (pH 8-9.5) 4.04 9.11 -65.05 0 5 -1 67 323.372 4

Activity (Go SEA)

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