UCSF

ZINC38264288

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 16 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) 2.97 6.33 -45.61 2 2 1 20 243.733 2
Hi High (pH 8-9.5) 2.97 5.02 -2.6 1 2 0 15 242.725 2

Activity (Go SEA)

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