UCSF

ZINC36813416

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 21 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) 2.34 1.77 -109.92 1 7 -2 121 326.717 4
Mid Mid (pH 6-8) 2.34 1.74 -54.18 2 7 -1 119 327.725 4

Activity (Go SEA)

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