UCSF

ZINC69738864

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 23 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) 2.15 4.98 -33.13 2 4 1 37 329.411 7
Mid Mid (pH 6-8) 2.15 5.1 -37.85 2 4 1 37 329.411 7
Mid Mid (pH 6-8) 2.15 2.81 -6.12 1 4 0 36 328.403 7

Activity (Go SEA)

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