UCSF

ZINC08626486

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2007 29 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) 2.26 4.26 -20.34 2 11 0 164 438.443 7
Hi High (pH 8-9.5) 2.26 4.3 -50.96 1 11 -1 166 437.435 7
Hi High (pH 8-9.5) 2.26 4.34 -41.75 1 11 -1 166 437.435 7
Hi High (pH 8-9.5) 2.26 4.38 -92.73 0 11 -2 168 436.427 7

Activity (Go SEA)

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