UCSF

ZINC41908996

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 25 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) 2.04 7.09 -47.27 2 6 1 63 366.507 9
Hi High (pH 8-9.5) 2.04 5.47 -13.68 1 6 0 62 365.499 9

Activity (Go SEA)

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