UCSF

ZINC17180281

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 31 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) 2.90 8.92 -71.5 1 7 0 83 424.497 8
Hi High (pH 8-9.5) 2.90 6.38 -64.89 0 7 -1 82 423.489 8
Lo Low (pH 4.5-6) 2.90 8.09 -47.11 2 7 1 81 425.505 8

Activity (Go SEA)

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