UCSF

ZINC20496265

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 0.80 6.02 -44.36 1 4 1 38 209.269 1
Hi High (pH 8-9.5) 0.80 4.01 -8.43 0 4 0 37 208.261 1

Activity (Go SEA)

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