UCSF

ZINC43967431

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 4.14 8.8 -29.65 2 2 1 16 253.454 7
Hi High (pH 8-9.5) 4.14 8 -32.52 2 2 1 20 253.454 7

Activity (Go SEA)

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