UCSF

ZINC34979588

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 0.37 2.32 -58.41 4 6 1 103 228.203 3
Hi High (pH 8-9.5) 0.37 2 -17.78 3 6 0 101 227.195 3

Activity (Go SEA)

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