UCSF

ZINC23114867

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 15 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) 2.50 3.97 -4.34 0 3 0 26 274.158 2
Mid Mid (pH 6-8) 2.50 6.32 -38.32 1 3 1 27 275.166 2

Activity (Go SEA)

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