UCSF

ZINC37654681

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 15 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) -0.24 3.47 -40.04 2 4 1 46 215.317 4
Hi High (pH 8-9.5) -0.24 2.25 -8.44 1 4 0 42 214.309 4

Activity (Go SEA)

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