UCSF

ZINC41511760

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 4.50 9.25 -34.97 2 4 1 51 341.406 3
Mid Mid (pH 6-8) 4.50 9.82 -20.03 1 4 0 54 340.398 3

Activity (Go SEA)

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