UCSF

ZINC34579326

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 12 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 -3.53 -7.33 3 5 0 79 175.184 2
Mid Mid (pH 6-8) -1.15 -2.25 -34.97 4 5 1 83 176.192 2

Activity (Go SEA)

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