UCSF

ZINC09111551

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 25 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) 3.00 6.38 -37.87 1 7 -1 105 351.367 3
Hi High (pH 8-9.5) 3.00 7.08 -101.18 0 7 -2 108 350.359 3

Activity (Go SEA)

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