UCSF

ZINC41664033

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 34 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) 5.27 10.87 -17.41 0 7 0 82 459.498 3
Mid Mid (pH 6-8) 5.27 13.87 -48.23 1 7 1 83 460.506 3

Activity (Go SEA)

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