UCSF

ZINC22058096

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 30 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 7.96 -11.28 2 8 0 97 415.49 9
Mid Mid (pH 6-8) 3.04 10.41 -49.01 3 8 1 98 416.498 9

Activity (Go SEA)

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