UCSF

ZINC63152987

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2011 14 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) 1.61 3.94 -38.21 2 2 1 20 211.354 4
Hi High (pH 8-9.5) 1.61 2.75 -2 1 2 0 15 210.346 4
Lo Low (pH 4.5-6) 1.61 6.39 -110.53 3 2 2 21 212.362 4

Activity (Go SEA)

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