UCSF

ZINC51397938

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 17 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) 0.17 3.89 -45.7 3 5 1 62 232.311 4
Hi High (pH 8-9.5) 0.17 3.86 -30.96 3 5 1 61 232.311 4
Hi High (pH 8-9.5) 0.17 3.49 -9.21 2 5 0 60 231.303 4
Lo Low (pH 4.5-6) 0.17 4.26 -109.55 4 5 2 63 233.319 4

Activity (Go SEA)

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