UCSF

ZINC41497986

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 22 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) 1.24 6.21 -17.14 1 6 0 67 300.362 5
Lo Low (pH 4.5-6) 1.24 6.67 -32.84 2 6 1 69 301.37 5

Activity (Go SEA)

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