UCSF

ZINC41067063

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 20 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) 0.37 3.83 -91.09 6 5 2 88 276.384 2
Mid Mid (pH 6-8) 0.37 3.13 -48.9 5 5 1 87 275.376 2

Activity (Go SEA)

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