UCSF

ZINC35126352

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 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) 1.58 7.39 -46.57 1 5 0 57 292.379 7
Hi High (pH 8-9.5) 1.58 5.11 -45.38 0 5 -1 56 291.371 7

Activity (Go SEA)

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