UCSF

ZINC34477529

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 26 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) 7.40 14.03 -10.08 0 1 0 13 335.45 2
Mid Mid (pH 6-8) 7.40 14.36 -23.74 1 1 1 14 336.458 2

Activity (Go SEA)

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