UCSF

ZINC21803634

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 3.42 7.08 -49.02 3 3 1 46 305.76 3
Mid Mid (pH 6-8) 3.42 5.89 -6.88 2 3 0 41 304.752 3

Activity (Go SEA)

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