UCSF

ZINC65498283

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 25 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) 3.84 11.62 -56.99 0 4 -1 66 329.379 2
Mid Mid (pH 6-8) 3.84 11.61 -42.93 1 4 0 67 330.387 2

Activity (Go SEA)

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