UCSF

ZINC06908747

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 28 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) 3.02 9.89 -65.23 0 6 -1 86 377.351 4
Lo Low (pH 4.5-6) 3.02 9.06 -17.34 1 6 0 84 378.359 4

Activity (Go SEA)

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