UCSF

ZINC43458239

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 2.86 5.62 -36.38 2 3 1 29 251.394 9
Hi High (pH 8-9.5) 2.86 4.42 -3.98 1 3 0 24 250.386 9
Lo Low (pH 4.5-6) 2.86 8.1 -110.17 3 3 2 30 252.402 9

Activity (Go SEA)

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