UCSF

ZINC53148167

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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) 3.94 6.46 -52.48 3 2 1 37 283.178 4
Hi High (pH 8-9.5) 3.94 5.87 -42.58 1 2 -1 35 281.162 4
Mid Mid (pH 6-8) 3.94 5.1 -6.06 2 2 0 32 282.17 4

Activity (Go SEA)

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