UCSF

ZINC41671647

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 16 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) 0.07 6.28 -44.88 1 5 0 75 223.228 3
Mid Mid (pH 6-8) 0.07 3.69 -50.69 0 5 -1 74 222.22 3

Activity (Go SEA)

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