UCSF

ZINC36778406

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) -0.44 3.7 -13.69 1 5 0 66 243.266 3
Lo Low (pH 4.5-6) -0.44 4.21 -41.25 2 5 1 67 244.274 3

Activity (Go SEA)

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