UCSF

ZINC36196802

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 16 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) 2.81 8.6 -38.18 1 2 1 22 238.376 4
Hi High (pH 8-9.5) 2.81 6.38 -5.77 0 2 0 20 237.368 4

Activity (Go SEA)

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