UCSF

ZINC20739551

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 19 No

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) 1.43 3.01 -12.56 2 5 0 85 270.317 1
Ref Reference (pH 7) 1.24 5.48 -13.07 2 5 0 82 270.317 1
Hi High (pH 8-9.5) 1.32 3.43 -44.46 0 5 -1 84 269.309 1
Mid Mid (pH 6-8) 1.24 5.46 -10.74 2 5 0 82 270.317 1
Mid Mid (pH 6-8) 1.43 3.04 -9.63 2 5 0 85 270.317 1

Activity (Go SEA)

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