UCSF

ZINC11687158

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2008 32 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) 3.62 10.94 -18.21 1 8 0 99 440.544 11
Mid Mid (pH 6-8) 3.62 11.33 -35.94 2 8 1 100 441.552 11

Activity (Go SEA)

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