UCSF

ZINC06736734

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 29 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) 1.51 7.79 -52.76 0 8 -1 107 417.463 7
Lo Low (pH 4.5-6) 1.51 5.81 -17.58 1 8 0 104 418.471 7

Activity (Go SEA)

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