UCSF

ZINC70613954

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 16 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) 1.61 3.56 -49.92 2 4 1 54 249.4 5
Hi High (pH 8-9.5) 1.61 2.12 -9.35 1 4 0 49 248.392 5

Activity (Go SEA)

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