UCSF

ZINC07778780

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2006 23 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) 3.92 13.31 -12.51 0 4 0 43 302.381 2
Lo Low (pH 4.5-6) 3.92 13.83 -28.85 1 4 1 44 303.389 2

Activity (Go SEA)

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