UCSF

ZINC34660208

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 17 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) 0.17 3 -68.99 4 7 1 115 240.239 6
Hi High (pH 8-9.5) 0.17 1.56 -22.91 3 7 0 110 239.231 6

Activity (Go SEA)

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