UCSF

ZINC34329806

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 8 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) 0.07 -0.99 -40.8 4 2 1 40 115.2 1
Mid Mid (pH 6-8) 0.07 0.25 -36.57 4 2 1 43 115.2 1
Lo Low (pH 4.5-6) 0.07 0.46 -111.1 5 2 2 44 116.208 1

Activity (Go SEA)

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