UCSF

ZINC43416118

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.14 4.85 -58.55 3 3 1 55 331.303 7
Hi High (pH 8-9.5) 2.14 4.58 -6.43 2 3 0 53 330.295 7

Activity (Go SEA)

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