UCSF

ZINC37270255

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 Yes

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) -0.54 4.02 -110.22 5 6 2 81 294.399 7
Hi High (pH 8-9.5) -0.54 1.77 -56.52 4 6 1 80 293.391 7

Activity (Go SEA)

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