UCSF

ZINC42743003

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 2.31 3.87 -44.36 3 2 1 31 267.34 6
Hi High (pH 8-9.5) 2.31 3.15 -3.11 2 2 0 29 266.332 6

Activity (Go SEA)

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