UCSF

ZINC42206906

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 18 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) 0.41 2.69 -32.06 3 5 1 55 258.386 9
Hi High (pH 8-9.5) 0.41 2.15 -40.91 3 5 1 58 258.386 9
Lo Low (pH 4.5-6) 0.41 3.94 -113.88 4 5 2 59 259.394 9

Activity (Go SEA)

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