UCSF

ZINC37081896

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 2.08 4.88 -39.86 3 3 1 34 290.475 6
Hi High (pH 8-9.5) 2.09 6.84 -32.46 3 3 1 34 290.475 6
Mid Mid (pH 6-8) 2.08 6.69 -30.57 3 3 1 34 290.475 6
Mid Mid (pH 6-8) 2.08 6.99 -107.91 4 3 2 35 291.483 6

Activity (Go SEA)

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