UCSF

ZINC36891177

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 21 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) 4.25 9.81 -10.48 0 3 0 27 300.789 4
Lo Low (pH 4.5-6) 4.25 10.25 -30.58 1 3 1 28 301.797 4

Activity (Go SEA)

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