UCSF

ZINC36358179

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 27 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) 3.60 8.75 -9.64 1 5 0 60 365.408 4
Ref Reference (pH 7) 3.42 11.42 -9.89 1 5 0 56 365.408 4
Lo Low (pH 4.5-6) 3.42 11.88 -39.74 2 5 1 57 366.416 4

Activity (Go SEA)

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