UCSF

ZINC42807127

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) -0.86 -1.34 -50.81 3 6 1 77 280.414 7
Mid Mid (pH 6-8) -0.86 0.61 -116.2 4 6 2 79 281.422 7

Activity (Go SEA)

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