UCSF

ZINC36771410

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 1.48 6.83 -11.21 0 3 0 33 240.734 6
Lo Low (pH 4.5-6) 1.48 7.3 -34.35 1 3 1 34 241.742 6

Activity (Go SEA)

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