UCSF

ZINC33349477

Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 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) 6.74 14.09 -58.07 0 6 -1 88 472.329 4
Ref Reference (pH 7) 6.74 14.51 -54.95 0 6 -1 88 472.329 4

Activity (Go SEA)

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