UCSF

ZINC34527027

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 21 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) 2.55 6.99 -36.17 2 3 1 28 287.427 5
Mid Mid (pH 6-8) 2.55 9.26 -108.17 3 3 2 29 288.435 5

Activity (Go SEA)

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