UCSF

ZINC31605395

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2009 21 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) 4.13 5.34 -15.29 2 4 0 59 305.761 5
Mid Mid (pH 6-8) 4.13 6 -46.69 1 4 -1 61 304.753 5

Activity (Go SEA)

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