UCSF

ZINC45623317

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) -0.02 -0.17 -11.27 3 5 0 70 328.21 3
Lo Low (pH 4.5-6) -0.02 2.17 -41.57 4 5 1 71 329.218 3

Activity (Go SEA)

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