UCSF

ZINC29835762

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2009 20 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) 2.66 5.04 -16.32 2 5 0 75 274.32 4
Mid Mid (pH 6-8) 3.11 3.3 -57.22 1 5 -1 78 273.312 4

Activity (Go SEA)

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