UCSF

ZINC40088637

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 23 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) 4.60 9.8 -35.4 2 3 1 35 314.449 7
Hi High (pH 8-9.5) 4.60 8.66 -6.59 1 3 0 30 313.441 7

Activity (Go SEA)

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