UCSF

ZINC05148206

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 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) 2.90 11.42 -9.11 0 8 0 77 370.388 3
Mid Mid (pH 6-8) 2.90 11.89 -36.44 1 8 1 79 371.396 3

Activity (Go SEA)

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