UCSF

ZINC37080729

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 1.15 4.71 -122.84 4 3 2 41 222.332 5
Mid Mid (pH 6-8) 1.15 2.99 -45.93 3 3 1 40 221.324 5
Mid Mid (pH 6-8) 1.15 4.34 -31.58 3 3 1 40 221.324 5

Activity (Go SEA)

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