UCSF

ZINC43285217

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 16 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 4.4 -44.68 3 2 1 31 306.293 5
Hi High (pH 8-9.5) 2.82 6.03 -31.19 3 2 1 30 306.293 5
Hi High (pH 8-9.5) 2.82 4.11 -1.77 2 2 0 29 305.285 5
Lo Low (pH 4.5-6) 2.82 6.34 -116.44 4 2 2 32 307.301 5

Activity (Go SEA)

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