UCSF

ZINC42105413

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 18 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) 1.82 7.66 -47.76 1 4 1 44 247.318 4
Hi High (pH 8-9.5) 1.82 5.18 -9.16 0 4 0 42 246.31 4

Activity (Go SEA)

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