UCSF

ZINC37818297

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) -1.52 -2.16 -52 5 7 1 106 255.298 2
Hi High (pH 8-9.5) -1.52 -2.47 -11.71 4 7 0 105 254.29 2
Hi High (pH 8-9.5) -1.33 -5.11 -42.68 3 7 -1 111 253.282 2

Activity (Go SEA)

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