UCSF

ZINC22144959

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 16 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) -1.65 4.83 -67.87 3 6 0 99 225.248 5
Mid Mid (pH 6-8) -1.65 4.32 -53.39 2 6 -1 98 224.24 5
Mid Mid (pH 6-8) -1.65 4.28 -63.17 2 6 -1 98 224.24 5

Activity (Go SEA)

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