UCSF

ZINC10511838

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2007 27 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) 2.71 -3.28 -51.45 1 8 -1 113 394.425 9
Hi High (pH 8-9.5) 2.71 -2.84 -125.83 0 8 -2 116 393.417 9

Activity (Go SEA)

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