UCSF

ZINC27627371

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 26 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) 2.56 5.94 -35.19 6 7 1 118 353.402 5
Mid Mid (pH 6-8) 2.56 5.46 -14.26 5 7 0 117 352.394 5

Activity (Go SEA)

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