UCSF

ZINC33775442

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 36 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) 2.36 12.14 -73.82 1 8 0 96 487.556 10
Hi High (pH 8-9.5) 2.36 9.6 -54.35 0 8 -1 95 486.548 10
Lo Low (pH 4.5-6) 2.36 10.85 -63.66 2 8 1 93 488.564 10

Activity (Go SEA)

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