UCSF

ZINC46502702

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.66 6.23 -45.99 2 3 1 34 239.314 6
Mid Mid (pH 6-8) 1.66 3.91 -7.78 1 3 0 32 238.306 6

Activity (Go SEA)

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