UCSF

ZINC19900022

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 2.81 6.22 -30.82 1 2 1 8 211.373 2
Hi High (pH 8-9.5) 2.81 3.94 -0.66 0 2 0 6 210.365 2
Hi High (pH 8-9.5) 2.81 6.22 -31.75 1 2 1 8 211.373 2

Activity (Go SEA)

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