UCSF

ZINC37237281

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 4.49 9.84 -37.64 2 2 1 26 294.484 9
Hi High (pH 8-9.5) 4.49 8.59 -2.81 1 2 0 21 293.476 9

Activity (Go SEA)

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