UCSF

ZINC37839333

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) -1.63 4.79 -21.84 0 6 0 67 244.291 7
Hi High (pH 8-9.5) -0.88 3.67 -59.72 0 6 -1 73 243.283 6

Activity (Go SEA)

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