UCSF

ZINC42781770

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 15 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) 2.31 3 -35.87 3 3 1 40 217.377 8
Mid Mid (pH 6-8) 2.32 4.45 -29.19 3 3 1 40 217.377 8

Activity (Go SEA)

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