UCSF

ZINC42880070

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 1.34 0.22 -47.58 5 6 1 98 293.343 4
Hi High (pH 8-9.5) 1.34 0.87 -33.75 4 6 0 101 292.335 4

Activity (Go SEA)

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