UCSF

ZINC55029215

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 25 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) 2.95 6.35 -42.38 4 6 1 75 353.531 7
Mid Mid (pH 6-8) 2.95 4.21 -11.76 3 6 0 73 352.523 7

Activity (Go SEA)

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