UCSF

ZINC37023346

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 14 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) 2.42 3.96 -9.59 1 3 0 41 213.664 2
Hi High (pH 8-9.5) 2.42 4.88 -49.41 0 3 -1 43 212.656 2

Activity (Go SEA)

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