UCSF

ZINC34846880

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 29 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) 2.60 7.07 -15.97 1 6 0 58 408.424 7
Mid Mid (pH 6-8) 2.60 9.34 -49.33 2 6 1 59 409.432 7
Lo Low (pH 4.5-6) 2.60 9.81 -109.33 3 6 2 60 410.44 7

Activity (Go SEA)

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