UCSF

ZINC40073890

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 26 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) 2.87 8.63 -23.49 1 6 0 75 413.33 4
Hi High (pH 8-9.5) 3.05 6.61 -56.54 0 6 -1 82 412.322 4

Activity (Go SEA)

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