UCSF

ZINC25337357

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 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) 1.53 6.64 -37.59 1 6 1 67 350.446 3
Mid Mid (pH 6-8) 1.53 9.03 -121.2 2 6 2 68 351.454 3
Mid Mid (pH 6-8) 1.53 6.26 -10.93 0 6 0 65 349.438 3

Activity (Go SEA)

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