UCSF

ZINC35840201

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 36 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) 2.12 5.52 -52.93 2 9 1 87 504.627 9
Mid Mid (pH 6-8) 2.12 3.27 -12.6 1 9 0 86 503.619 9

Activity (Go SEA)

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