UCSF

ZINC10110154

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2007 22 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) 3.44 -4.08 -9.59 1 4 0 55 317.41 3
Hi High (pH 8-9.5) 3.44 -3.51 -45.19 0 4 -1 57 316.402 3

Activity (Go SEA)

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