UCSF

ZINC19478972

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 16 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) 1.34 2.76 -55.59 3 4 1 57 241.698 1
Hi High (pH 8-9.5) 1.34 2.36 -52.03 1 4 -1 55 239.682 1
Mid Mid (pH 6-8) 1.34 3.76 -79.32 2 4 0 60 240.69 1
Mid Mid (pH 6-8) 1.34 1.36 -12.55 2 4 0 53 240.69 1

Activity (Go SEA)

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