UCSF

ZINC37270087

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) -1.62 0.65 -99.34 5 6 2 81 232.328 7
Hi High (pH 8-9.5) -1.62 -1.55 -54.9 4 6 1 80 231.32 7

Activity (Go SEA)

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