UCSF

ZINC36150002

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 23 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) 0.09 5.1 -21.37 1 6 0 73 378.226 1
Hi High (pH 8-9.5) 1.00 3.25 -58.34 0 6 -1 77 377.218 1

Activity (Go SEA)

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