UCSF

ZINC36777462

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 1.05 3.02 -9.36 2 5 0 76 295.339 4
Lo Low (pH 4.5-6) 1.05 3.66 -36.28 3 5 1 78 296.347 4

Activity (Go SEA)

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