UCSF

ZINC41066308

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 17 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) 3.14 2.63 -6.59 1 4 0 59 341.658 4
Hi High (pH 8-9.5) 3.14 2.66 -36.13 0 4 -1 61 340.65 4

Activity (Go SEA)

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