UCSF

ZINC43261012

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 26 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) 6.04 12.85 -47.79 0 4 -1 59 365.534 15
Lo Low (pH 4.5-6) 6.04 10.87 -7.49 1 4 0 56 366.542 15

Activity (Go SEA)

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