UCSF

ZINC35003606

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 31 No

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) 3.83 9.49 -56.93 0 6 -1 79 485.354 7
Lo Low (pH 4.5-6) 3.83 8.74 -13.7 1 6 0 76 486.362 7

Activity (Go SEA)

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