UCSF

ZINC21704372

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 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) 3.16 8.37 -33.96 1 8 0 88 455.515 7
Hi High (pH 8-9.5) 2.98 7.44 -51.54 0 8 -1 94 454.507 7
Lo Low (pH 4.5-6) 3.16 10.72 -70.32 2 8 1 89 456.523 7

Activity (Go SEA)

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