UCSF

ZINC35624231

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) 1.29 7.68 -50.09 2 5 1 61 274.344 8
Mid Mid (pH 6-8) 1.29 6.32 -9.3 1 5 0 56 273.336 8

Activity (Go SEA)

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