UCSF

ZINC06450377

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.49 9.73 -51.02 0 4 -1 62 306.341 3
Mid Mid (pH 6-8) 4.49 9.65 -39.64 1 4 0 63 307.349 3

Activity (Go SEA)

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