UCSF

ZINC37084581

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 2.40 6.39 -45.83 2 4 1 44 282.314 6
Hi High (pH 8-9.5) 2.40 5.38 -8.86 1 4 0 39 281.306 6

Activity (Go SEA)

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