UCSF

ZINC42461294

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 13 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) 1.85 5.42 -8.36 0 3 0 40 195.291 3
Lo Low (pH 4.5-6) 1.85 5.84 -32.16 1 3 1 41 196.299 3

Activity (Go SEA)

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