UCSF

ZINC08845146

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 32 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) 3.26 7.98 -13.07 2 7 0 91 426.476 6
Hi High (pH 8-9.5) 3.26 9.09 -40.3 1 7 -1 94 425.468 6
Mid Mid (pH 6-8) 3.26 8.75 -52.67 1 7 -1 94 425.468 6
Lo Low (pH 4.5-6) 3.26 8.79 -40.72 3 7 1 93 427.484 6
Lo Low (pH 4.5-6) 3.26 8.44 -44.33 3 7 1 93 427.484 6

Activity (Go SEA)

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