UCSF

ZINC05733270

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 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) 3.39 4.46 -8.04 1 3 0 47 228.247 3
Hi High (pH 8-9.5) 3.39 5.25 -47.19 0 3 -1 49 227.239 3

Activity (Go SEA)

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