UCSF

ZINC36999556

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 4.37 9.91 -9.56 1 4 0 58 349.228 6
Lo Low (pH 4.5-6) 4.37 10.94 -56.01 2 4 1 62 350.236 6

Activity (Go SEA)

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