UCSF

ZINC25444789

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 28 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) 2.82 7.13 -28.27 2 7 0 101 414.512 6
Hi High (pH 8-9.5) 2.88 6.31 -107.99 0 7 -2 109 412.496 6
Hi High (pH 8-9.5) 2.88 6.24 -57.08 1 7 -1 107 413.504 6
Mid Mid (pH 6-8) 2.82 7.2 -62.08 1 7 -1 103 413.504 6

Activity (Go SEA)

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