UCSF

ZINC31820823

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 28 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.08 8.49 -12.73 1 6 0 69 377.444 5
Ref Reference (pH 7) 2.89 11.14 -12.45 1 6 0 65 377.444 5
Lo Low (pH 4.5-6) 2.89 11.6 -45.38 2 6 1 67 378.452 5

Activity (Go SEA)

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