UCSF

ZINC00001154

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 22 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) 3.03 7.04 -42.75 2 3 1 38 295.406 3
Lo Low (pH 4.5-6) 3.03 7.47 -90.82 3 3 2 39 296.414 3

Activity (Go SEA)

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