UCSF

ZINC42946716

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 19 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) 2.38 3.15 -43.2 4 3 1 51 285.839 7
Mid Mid (pH 6-8) 2.38 4.14 -33.63 4 3 1 51 285.839 7

Activity (Go SEA)

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