UCSF

ZINC02578153

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 26 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) 0.34 6.49 -107.26 2 8 -2 138 362.382 7
Lo Low (pH 4.5-6) 0.34 4.77 -50.79 3 8 -1 136 363.39 7
Lo Low (pH 4.5-6) 0.34 2.78 -13.48 4 8 0 133 364.398 7

Activity (Go SEA)

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