UCSF

ZINC37034375

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 12 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) 2.77 5.94 -43.09 2 1 1 17 233.104 3
Hi High (pH 8-9.5) 2.77 4.57 -1.75 1 1 0 12 232.096 3

Activity (Go SEA)

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