UCSF

ZINC35003932

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 35 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) 3.64 8.9 -63.74 0 8 -1 97 480.537 11
Lo Low (pH 4.5-6) 3.64 8.15 -18.83 1 8 0 95 481.545 11

Activity (Go SEA)

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