UCSF

ZINC34979688

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) 1.83 4.45 -44.21 3 6 1 92 244.658 4
Hi High (pH 8-9.5) 1.83 3.01 -6.83 2 6 0 87 243.65 4

Activity (Go SEA)

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