UCSF

ZINC06752601

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) 5.70 13 -14.62 1 4 0 47 409.961 7
Lo Low (pH 4.5-6) 5.70 13.43 -38.4 2 4 1 48 410.969 7

Activity (Go SEA)

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