UCSF

ZINC20358414

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 32 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) 3.48 8.54 -51.43 2 8 1 94 439.488 6
Mid Mid (pH 6-8) 3.48 6.17 -13.75 1 8 0 92 438.48 6
Mid Mid (pH 6-8) 3.48 8.44 -52.06 2 8 1 94 439.488 6

Activity (Go SEA)

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