UCSF

ZINC69072518

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.51 7.42 -55.81 1 5 1 72 237.327 8
Hi High (pH 8-9.5) -0.51 5.16 -17.17 0 5 0 71 236.319 8

Activity (Go SEA)

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