UCSF

ZINC37171693

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 14 No

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) 2.46 5.76 -33.25 3 3 1 43 214.358 6
Hi High (pH 8-9.5) 2.46 3.41 -4.63 2 3 0 42 213.35 6

Activity (Go SEA)

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