UCSF

ZINC35660303

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 17 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) 1.06 4.61 -43.56 3 4 1 61 239.339 5
Mid Mid (pH 6-8) 1.06 4.28 -8.37 2 4 0 59 238.331 5

Activity (Go SEA)

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