UCSF

ZINC52223088

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 15 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) -0.06 1.14 -13.42 1 5 0 64 204.233 4
Lo Low (pH 4.5-6) -0.06 1.6 -42.17 2 5 1 65 205.241 4

Activity (Go SEA)

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