UCSF

ZINC02791506

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 34 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) 5.80 14.93 -49.56 0 6 -1 62 479.532 9
Lo Low (pH 4.5-6) 5.08 15.09 -16.7 1 6 0 64 480.54 9

Activity (Go SEA)

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