UCSF

ZINC69970047

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 19 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) 3.08 8.37 -36.2 1 2 1 8 283.436 5
Hi High (pH 8-9.5) 3.08 6.16 -4.86 0 2 0 6 282.428 5

Activity (Go SEA)

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