UCSF

ZINC28558341

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 30 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) 1.97 6.61 -17.53 0 8 0 77 434.562 7
Mid Mid (pH 6-8) 1.97 8.88 -55.3 1 8 1 78 435.57 7

Activity (Go SEA)

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