UCSF

ZINC36858106

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 1.59 5.42 -6.88 0 4 0 28 312.211 2
Mid Mid (pH 6-8) 1.59 7.78 -42.6 1 4 1 30 313.219 2

Activity (Go SEA)

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