UCSF

ZINC62971861

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 16 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) 1.51 5.58 -85.6 3 3 2 24 227.396 6
Hi High (pH 8-9.5) 1.51 3.19 -32.15 2 3 1 23 226.388 6

Activity (Go SEA)

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