UCSF

ZINC31959020

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 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) -1.02 0.02 -65.08 4 6 1 92 243.312 4
Mid Mid (pH 6-8) -0.83 -1.05 -61.41 3 6 0 98 242.304 4

Activity (Go SEA)

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