UCSF

ZINC06887340

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2006 25 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) 0.91 1.07 -17.86 3 8 0 121 361.379 4
Hi High (pH 8-9.5) 0.91 1.57 -39.54 2 8 -1 123 360.371 4
Hi High (pH 8-9.5) 1.77 1.8 -49.31 2 8 1 120 360.371 4

Activity (Go SEA)

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