UCSF

ZINC37996801

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 3.33 5.38 -5.27 1 2 0 21 247.26 7
Mid Mid (pH 6-8) 3.33 6.74 -45.95 2 2 1 26 248.268 7

Activity (Go SEA)

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