UCSF

ZINC40158327

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 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) 1.99 0.45 -16.62 1 7 0 87 474.83 7
Mid Mid (pH 6-8) 1.99 2.66 -58.97 2 7 1 88 475.838 7

Activity (Go SEA)

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