UCSF

ZINC41820301

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 26 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) 2.70 7.72 -43.76 1 6 -1 83 370.454 6
Mid Mid (pH 6-8) 2.25 8.99 -15.2 2 6 0 80 371.462 6

Activity (Go SEA)

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