UCSF

ZINC33928379

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 30 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) 2.58 7.36 -28.12 4 11 1 142 416.51 6
Hi High (pH 8-9.5) 2.58 5.27 -7.52 3 11 0 140 415.502 6

Activity (Go SEA)

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