UCSF

ZINC36379172

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 32 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) 5.08 15.51 -9.49 1 5 0 54 425.532 8
Lo Low (pH 4.5-6) 5.08 16.33 -33.49 2 5 1 56 426.54 8
Lo Low (pH 4.5-6) 5.08 15.21 -35.34 2 5 1 56 426.54 7

Activity (Go SEA)

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