UCSF

ZINC09261092

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 34 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) 3.28 12.24 -14.75 2 7 0 89 471.586 9
Lo Low (pH 4.5-6) 3.53 8.67 -38.49 3 7 1 98 472.594 9

Activity (Go SEA)

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