UCSF

ZINC19838181

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 21 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) 1.43 4.32 -42.9 2 5 1 54 293.387 6
Mid Mid (pH 6-8) 1.43 4.29 -49.31 2 5 1 54 293.387 6
Mid Mid (pH 6-8) 1.43 1.94 -9.42 1 5 0 53 292.379 6

Activity (Go SEA)

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