UCSF

ZINC42163149

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 0.70 6.1 -37.81 2 6 0 87 283.353 5
Mid Mid (pH 6-8) 0.51 5.35 -60.58 1 6 -1 93 282.345 5

Activity (Go SEA)

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