UCSF

ZINC36770845

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 1.32 6.07 -107.26 4 4 2 54 273.38 7
Hi High (pH 8-9.5) 1.32 3.32 -7.46 2 4 0 51 271.364 7
Hi High (pH 8-9.5) 1.32 3.74 -40.94 3 4 1 53 272.372 7

Activity (Go SEA)

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