UCSF

ZINC34672440

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 18 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) 5.18 10.16 -35.35 2 1 1 17 260.426 5
Hi High (pH 8-9.5) 5.18 8.76 -3.13 1 1 0 12 259.418 5

Activity (Go SEA)

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