UCSF

ZINC23609276

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2009 23 No

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) 4.07 7.69 -13.55 1 6 0 92 376.162 2
Mid Mid (pH 6-8) 4.07 8.69 -42.34 0 6 -1 95 375.154 2

Activity (Go SEA)

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