UCSF

ZINC35449966

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 35 Yes

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) 2.10 12.26 -22.73 0 8 0 80 469.545 6
Mid Mid (pH 6-8) 2.10 14.48 -67.88 1 8 1 82 470.553 6

Activity (Go SEA)

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