UCSF

ZINC19505914

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 15 Yes

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) 0.61 1.9 -40.54 2 5 -1 89 228.611 3
Hi High (pH 8-9.5) 0.61 2.75 -100.21 1 5 -2 92 227.603 3

Activity (Go SEA)

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