UCSF

ZINC19532059

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 23 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) 3.06 8.35 -39.74 1 4 1 26 319.469 6
Hi High (pH 8-9.5) 3.06 6.08 -5.67 0 4 0 25 318.461 6
Mid Mid (pH 6-8) 3.06 8.41 -41.79 1 4 1 26 319.469 6

Activity (Go SEA)

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