UCSF

ZINC34972137

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 14 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) 1.40 6.26 -9.73 3 4 0 60 212.322 2
Hi High (pH 8-9.5) 2.13 5.96 -41.46 2 4 -1 57 211.314 2

Activity (Go SEA)

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