UCSF

ZINC20184791

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 21 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) 0.52 3.07 -48.96 0 6 -1 81 311.383 6
Mid Mid (pH 6-8) 0.52 5.41 -75.42 1 6 0 82 312.391 6

Activity (Go SEA)

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