UCSF

ZINC42207082

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 14 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) 1.20 3.76 -34.44 2 4 1 51 204.29 8
Hi High (pH 8-9.5) 1.20 1.9 -5.39 1 4 0 50 203.282 8

Activity (Go SEA)

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