UCSF

ZINC25451986

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 23 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) 1.71 0.06 -20.91 3 6 0 106 362.379 5
Hi High (pH 8-9.5) 1.71 0.82 -85.94 1 6 -2 106 360.363 5
Hi High (pH 8-9.5) 1.71 0.74 -44.95 2 6 -1 104 361.371 5
Mid Mid (pH 6-8) 1.71 0.14 -47.96 2 6 -1 108 361.371 5

Activity (Go SEA)

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