UCSF

ZINC41660894

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 4.95 6.83 -5.02 1 1 0 20 232.71 1
Hi High (pH 8-9.5) 4.95 7.6 -41.83 0 1 -1 23 231.702 1

Activity (Go SEA)

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