UCSF

ZINC43911039

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 3.25 9.07 -42.1 2 2 1 16 285.386 4
Hi High (pH 8-9.5) 3.25 6.75 -3.44 1 2 0 15 284.378 4
Lo Low (pH 4.5-6) 3.25 9.96 -129.79 3 2 2 21 286.394 4

Activity (Go SEA)

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