UCSF

ZINC53135239

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 25 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) 4.62 8.3 -47.36 1 4 0 53 359.47 8
Mid Mid (pH 6-8) 4.16 8.87 -12.92 1 4 0 49 359.47 8
Mid Mid (pH 6-8) 4.16 10.99 -57.44 2 4 1 50 360.478 8

Activity (Go SEA)

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