UCSF

ZINC37504841

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 18 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) 2.81 9.62 -60.8 0 4 -1 60 254.35 5
Lo Low (pH 4.5-6) 2.81 7.59 -11.25 1 4 0 58 255.358 5

Activity (Go SEA)

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