UCSF

ZINC36198366

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 0.48 4.37 -39.9 4 6 1 80 313.809 6
Hi High (pH 8-9.5) 0.48 2.38 -13.49 3 6 0 79 312.801 6

Activity (Go SEA)

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