UCSF

ZINC31890328

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 15 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) 1.86 6.06 -56.92 0 3 -1 53 200.217 2
Mid Mid (pH 6-8) 1.86 6.42 -35.58 1 3 0 54 201.225 2

Activity (Go SEA)

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