UCSF

ZINC08743841

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 27 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) 1.92 5.5 -61.09 0 7 -1 92 370.381 8
Mid Mid (pH 6-8) 2.37 5.77 -19.12 1 7 0 89 371.389 7

Activity (Go SEA)

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