UCSF

ZINC43252884

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 4.08 6.22 -40.8 3 2 1 31 303.923 7
Hi High (pH 8-9.5) 4.08 8.01 -32.25 3 2 1 30 303.923 7
Hi High (pH 8-9.5) 4.08 6.7 -1.02 2 2 0 29 302.915 7
Lo Low (pH 4.5-6) 4.08 8.5 -123.06 4 2 2 32 304.931 7

Activity (Go SEA)

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