UCSF

ZINC37460203

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 12 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) -1.19 -0.48 -9.1 4 3 0 69 184.626 2
Mid Mid (pH 6-8) -1.19 -0.15 -46.88 5 3 1 71 185.634 2

Activity (Go SEA)

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