UCSF

ZINC34960521

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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 2.57 -75.08 4 7 1 112 240.239 5
Hi High (pH 8-9.5) 0.17 2.17 -23.35 3 7 0 110 239.231 5

Activity (Go SEA)

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