UCSF

ZINC36358084

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 24 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) 3.75 8.45 -11.29 1 6 0 76 343.408 4
Ref Reference (pH 7) 2.82 8.74 -11.65 1 6 0 73 343.408 5
Hi High (pH 8-9.5) 2.89 7.31 -45.68 0 6 -1 80 342.4 5

Activity (Go SEA)

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