UCSF

ZINC23705200

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2009 25 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) 3.20 5.61 -10.13 0 5 0 50 380.897 5
Mid Mid (pH 6-8) 3.20 7.93 -46.81 1 5 1 51 381.905 5

Activity (Go SEA)

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