UCSF

ZINC19506053

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 16 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) 1.39 2.81 -15.46 2 3 0 38 236.34 3
Lo Low (pH 4.5-6) 1.39 5.16 -56.43 3 3 1 40 237.348 3

Activity (Go SEA)

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