UCSF

ZINC37242516

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 13 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) -0.57 0.22 -8.05 2 5 0 82 183.211 4
Hi High (pH 8-9.5) -0.38 -1.06 -40.13 1 5 -1 88 182.203 4

Activity (Go SEA)

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