UCSF

ZINC36770494

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) 2.21 5.69 -52.65 3 4 1 53 272.372 3
Hi High (pH 8-9.5) 2.21 5.31 -7.08 2 4 0 51 271.364 3
Mid Mid (pH 6-8) 2.21 6.15 -103.71 4 4 2 54 273.38 3

Activity (Go SEA)

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