UCSF

ZINC31351314

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2009 24 No

Download: MOL2 SDF SMILES Flexibase

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) 1.13 6.89 -16.58 2 8 0 118 369.786 5
Mid Mid (pH 6-8) 1.13 7.2 -63.76 3 8 1 120 370.794 5

Activity (Go SEA)

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