UCSF

ZINC35206553

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) 1.09 7.08 -58.1 1 5 -1 82 275.328 5
Lo Low (pH 4.5-6) 1.09 5.08 -48.09 3 5 1 81 277.344 5
Lo Low (pH 4.5-6) 1.09 4.62 -15.14 2 5 0 79 276.336 5
Lo Low (pH 4.5-6) 1.09 7.54 -80.11 2 5 0 83 276.336 5

Activity (Go SEA)

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