UCSF

ZINC52304269

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 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) 0.93 5.44 -55.09 3 3 1 45 238.261 4
Hi High (pH 8-9.5) 0.93 5.05 -6.93 2 3 0 44 237.253 4
Lo Low (pH 4.5-6) 0.93 5.74 -108.69 4 3 2 47 239.269 4

Activity (Go SEA)

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