UCSF

ZINC06255734

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 26 No

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) 6.68 11.45 -44.61 0 3 -1 44 363.506 4
Lo Low (pH 4.5-6) 6.68 12.13 -13.17 1 3 0 42 364.514 4

Activity (Go SEA)

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