UCSF

ZINC31993190

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 17 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) 2.69 5.11 -42.41 3 2 1 31 253.797 2
Mid Mid (pH 6-8) 2.69 6.38 -34.84 3 2 1 30 253.797 2

Activity (Go SEA)

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