UCSF

ZINC06315729

Substance Information

In ZINC since Heavy atoms Benign functionality
March 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) 2.25 -5.03 -14.63 1 5 0 80 365.354 5
Hi High (pH 8-9.5) 2.25 -4.45 -47.67 0 5 -1 82 364.346 5

Activity (Go SEA)

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