UCSF

ZINC09129773

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 30 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) 6.42 9.02 -9.56 2 5 0 67 441.314 6
Hi High (pH 8-9.5) 6.42 9.8 -42.58 1 5 -1 70 440.306 6
Hi High (pH 8-9.5) 6.42 9.79 -53.97 1 5 -1 70 440.306 6

Activity (Go SEA)

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