UCSF

ZINC41572248

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 24 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) 3.56 7.08 -46.82 0 5 -1 74 358.468 4
Mid Mid (pH 6-8) 3.56 6.72 -10.6 1 5 0 72 359.476 4

Activity (Go SEA)

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