UCSF

ZINC36639274

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 26 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) 3.56 5.26 -19.83 3 6 0 102 452.355 5
Hi High (pH 8-9.5) 3.63 3.82 -50.05 2 6 -1 108 451.347 5

Activity (Go SEA)

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