UCSF

ZINC37078439

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 1.13 3.48 -101.45 4 5 2 60 270.373 7
Mid Mid (pH 6-8) 1.13 1.75 -38.83 3 5 1 59 269.365 7
Mid Mid (pH 6-8) 1.13 3.12 -28.17 3 5 1 58 269.365 7

Activity (Go SEA)

Rings

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