UCSF

ZINC04910422

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 31 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) 4.43 1.62 -16.44 0 5 0 47 415.537 10
Mid Mid (pH 6-8) 4.43 1.8 -42.69 1 5 1 48 416.545 10

Activity (Go SEA)

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