UCSF

ZINC43412046

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 2.88 8.94 -89.3 1 5 0 62 289.379 5
Hi High (pH 8-9.5) 2.88 6.59 -55.27 0 5 -1 61 288.371 5
Lo Low (pH 4.5-6) 2.88 9.35 -108.01 2 5 1 64 290.387 5

Activity (Go SEA)

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