UCSF

ZINC08486642

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2006 18 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) 0.92 3.47 -17.27 2 5 0 82 264.306 4
Ref Reference (pH 7) 1.05 4.73 -8.11 2 5 0 79 264.306 4
Hi High (pH 8-9.5) 0.92 3.49 -42.77 1 5 -1 79 263.298 4

Activity (Go SEA)

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