UCSF

ZINC36639271

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 28 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) 6.57 12.12 -15.78 1 3 0 42 489.744 5
Hi High (pH 8-9.5) 6.63 11.54 -49.63 0 3 -1 48 488.736 5

Activity (Go SEA)

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