UCSF

ZINC37034857

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 1.90 6.89 -83.4 4 4 2 49 282.391 5
Hi High (pH 8-9.5) 1.90 5.75 -10.47 2 4 0 47 280.375 5
Hi High (pH 8-9.5) 1.90 8.07 -38.67 3 4 1 48 281.383 5
Hi High (pH 8-9.5) 1.90 6.16 -46.26 3 4 1 48 281.383 5

Activity (Go SEA)

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