UCSF

ZINC35743910

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 22 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) 3.66 7.91 -54.43 3 4 1 62 334.852 5
Mid Mid (pH 6-8) 4.12 5.57 -42.53 2 4 0 65 333.844 5

Activity (Go SEA)

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