UCSF

ZINC20589445

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 14 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) 3.14 7.97 -45.11 0 3 -1 31 212.342 5
Mid Mid (pH 6-8) 2.41 8.14 -12.32 1 3 0 34 213.35 5

Activity (Go SEA)

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