UCSF

ZINC39300995

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.35 12.33 -15.29 2 7 0 73 495.425 7
Mid Mid (pH 6-8) 4.35 11.98 -34.87 3 7 1 75 496.433 7
Mid Mid (pH 6-8) 4.35 12.96 -31.85 3 7 1 75 496.433 7

Activity (Go SEA)

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