UCSF

ZINC33788870

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 30 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) 4.12 6.05 -11.64 2 7 0 91 468.362 5
Hi High (pH 8-9.5) 4.12 7.38 -41.7 1 7 -1 94 467.354 5
Hi High (pH 8-9.5) 4.12 6.82 -16.74 1 7 0 94 467.354 5

Activity (Go SEA)

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