UCSF

ZINC40181020

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.96 12.3 -13.6 1 6 0 69 440.547 11
Mid Mid (pH 6-8) 3.96 12.8 -36.76 2 6 1 70 441.555 11

Activity (Go SEA)

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