UCSF

ZINC36639253

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) 6.44 12.01 -16.38 1 3 0 42 445.293 5
Hi High (pH 8-9.5) 6.50 11.27 -50.28 0 3 -1 48 444.285 5

Activity (Go SEA)

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