UCSF

ZINC37208195

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) 0.10 3.01 -45.57 3 5 1 66 244.359 7
Hi High (pH 8-9.5) 0.10 1.79 -16.1 2 5 0 61 243.351 7

Activity (Go SEA)

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