UCSF

ZINC34919945

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 36 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) 4.86 10.4 -56.64 0 8 -1 102 526.708 6
Lo Low (pH 4.5-6) 5.24 12.26 -15.78 1 8 0 96 527.716 5

Activity (Go SEA)

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