UCSF

ZINC36639249

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 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) 6.22 11.66 -17.37 1 3 0 42 411.741 4
Hi High (pH 8-9.5) 6.29 10.94 -49.73 0 3 -1 48 410.733 4

Activity (Go SEA)

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