UCSF

ZINC42909049

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 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) 1.56 4.39 -39.48 3 3 1 40 237.367 6
Mid Mid (pH 6-8) 1.56 6.09 -116.43 4 3 2 41 238.375 6

Activity (Go SEA)

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