UCSF

ZINC37129045

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 5.30 7.65 -41.93 3 2 1 37 355.683 4
Hi High (pH 8-9.5) 5.30 6.54 -4.47 2 2 0 32 354.675 4
Hi High (pH 8-9.5) 5.30 8.4 -28.86 2 2 0 40 354.675 4

Activity (Go SEA)

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