UCSF

ZINC37848129

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 1.33 4.85 -112.24 4 4 2 51 274.449 11
Mid Mid (pH 6-8) 1.33 3.42 -32.46 3 4 1 46 273.441 11

Activity (Go SEA)

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