UCSF

ZINC07027576

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2006 28 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) 2.06 12.07 -20.76 0 8 0 92 378.388 6
Mid Mid (pH 6-8) 2.06 12.58 -59.22 1 8 1 93 379.396 6

Activity (Go SEA)

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