UCSF

ZINC26510913

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 15 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) 1.07 3.61 -90.59 4 3 2 35 215.385 4
Hi High (pH 8-9.5) 1.07 1.15 -43.55 3 3 1 34 214.377 4
Mid Mid (pH 6-8) 1.07 3.49 -114.69 4 3 2 35 215.385 4

Activity (Go SEA)

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