UCSF

ZINC23361075

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.04 9.26 -38.79 1 7 1 65 414.917 6
Mid Mid (pH 6-8) 3.04 9.16 -35.91 1 7 1 65 414.917 6
Mid Mid (pH 6-8) 3.04 6.88 -7.94 0 7 0 63 413.909 6

Activity (Go SEA)

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