UCSF

ZINC33824211

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 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) 3.81 8.94 -44.32 2 4 1 37 431.647 6
Mid Mid (pH 6-8) 3.81 6.67 -8.18 1 4 0 36 430.639 6

Activity (Go SEA)

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