UCSF

ZINC43461076

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 2.55 6.02 -9.59 1 3 0 42 252.115 1
Hi High (pH 8-9.5) 2.55 5.63 -38.17 0 3 -1 40 251.107 1
Lo Low (pH 4.5-6) 2.55 6.47 -28.38 2 3 1 43 253.123 1

Activity (Go SEA)

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