UCSF

ZINC57477788

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2011 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) 5.18 13.84 -42.45 1 5 1 51 441.477 5
Mid Mid (pH 6-8) 5.18 13.62 -13.82 0 5 0 49 440.469 5

Activity (Go SEA)

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