UCSF

ZINC00823616

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2005 30 No

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) 3.24 0.96 -59.2 0 7 -1 105 412.462 7
Mid Mid (pH 6-8) 3.42 -0.23 -57.95 0 7 -1 105 412.462 7
Mid Mid (pH 6-8) 3.24 0.87 -62.93 0 7 -1 105 412.462 7

Activity (Go SEA)

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