UCSF

ZINC35449861

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 29 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) 0.35 8.22 -27.84 1 9 0 104 398.467 7
Lo Low (pH 4.5-6) 0.35 8.35 -48.39 2 9 1 105 399.475 7

Activity (Go SEA)

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