UCSF

ZINC33809111

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 34 Yes

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) 6.50 12.42 -17.61 1 5 0 68 458.546 4
Hi High (pH 8-9.5) 6.57 11.51 -50.09 0 5 -1 74 457.538 4

Activity (Go SEA)

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