UCSF

ZINC37273667

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 3.11 6.85 -40.25 2 3 1 29 323.507 6
Hi High (pH 8-9.5) 3.11 5.73 -4.51 1 3 0 24 322.499 6
Lo Low (pH 4.5-6) 3.11 8.64 -122.48 3 3 2 30 324.515 6

Activity (Go SEA)

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