UCSF

ZINC37144395

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 16 No

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) 2.15 6.4 -32.83 3 3 1 40 239.364 6
Hi High (pH 8-9.5) 2.15 4.01 -12.61 2 3 0 38 238.356 6

Activity (Go SEA)

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