UCSF

ZINC41651333

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 1.72 5.9 -11.31 2 5 0 67 259.309 7
Mid Mid (pH 6-8) 1.72 6.24 -44.69 3 5 1 72 260.317 7

Activity (Go SEA)

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