UCSF

ZINC76770518

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2012 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) 3.92 10.52 -50.99 0 3 -1 49 283.347 6
Lo Low (pH 4.5-6) 3.92 8.54 -8.49 1 3 0 47 284.355 6

Activity (Go SEA)

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