UCSF

ZINC15919953

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 26 No

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) 2.54 5.52 -57.53 1 5 -1 81 374.775 5
Mid Mid (pH 6-8) 2.99 4.53 -28.12 2 5 0 78 375.783 4
Mid Mid (pH 6-8) 1.96 5.55 -17.51 1 5 0 75 375.783 5

Activity (Go SEA)

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