UCSF

ZINC07053307

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 23 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) 4.34 8.09 -14.14 1 6 0 92 334.397 6
Mid Mid (pH 6-8) 4.34 8.13 -48.8 0 6 -1 94 333.389 6

Activity (Go SEA)

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