UCSF

ZINC22775233

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 25 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) 2.70 5.07 -36.71 3 5 1 57 340.447 5
Hi High (pH 8-9.5) 2.71 3.02 -14.06 2 5 0 56 339.439 5

Activity (Go SEA)

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