UCSF

ZINC05815619

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 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) 1.98 3.29 -7.83 1 4 0 49 228.317 3
Hi High (pH 8-9.5) 1.98 3.47 -39.26 0 4 -1 51 227.309 3

Activity (Go SEA)

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