UCSF

ZINC21896237

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 19 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) 3.03 4.2 -15.32 2 4 0 59 259.305 5
Hi High (pH 8-9.5) 3.03 5.23 -61.18 1 4 -1 61 258.297 5

Activity (Go SEA)

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