UCSF

ZINC25451160

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 28 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) 2.11 7.66 -23.18 2 7 0 93 401.398 4
Mid Mid (pH 6-8) 2.18 6.91 -66.77 1 7 -1 99 400.39 4

Activity (Go SEA)

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