UCSF

ZINC35568204

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 32 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) 4.39 12.3 -59.61 0 5 -1 73 445.564 6
Lo Low (pH 4.5-6) 4.39 11.55 -12.55 1 5 0 71 446.572 6

Activity (Go SEA)

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