UCSF

ZINC58590979

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2011 30 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) 4.43 10.46 -55.3 2 5 1 67 411.566 11
Hi High (pH 8-9.5) 4.43 8.14 -13 1 5 0 66 410.558 11

Activity (Go SEA)

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