UCSF

ZINC31829355

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 19 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) 3.22 4.78 -49.24 3 3 1 40 283.823 4
Mid Mid (pH 6-8) 3.22 6.94 -40.46 3 3 1 40 283.823 4
Mid Mid (pH 6-8) 3.22 7.2 -120.17 4 3 2 41 284.831 4

Activity (Go SEA)

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