UCSF

ZINC34623314

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 39 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) 7.55 18.85 -67.66 0 6 -1 78 520.653 8
Lo Low (pH 4.5-6) 7.55 19.11 -74.12 1 6 0 80 521.661 8

Activity (Go SEA)

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