UCSF

ZINC69871968

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 21 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) 0.49 2.64 -111.7 6 5 2 84 293.411 7
Hi High (pH 8-9.5) 0.49 1.27 -39.82 5 5 1 80 292.403 7

Activity (Go SEA)

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