UCSF

ZINC04792949

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 37 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) 2.84 7.26 -23.65 2 10 0 121 505.527 9
Mid Mid (pH 6-8) 3.30 5.42 -60.95 1 10 -1 124 504.519 9

Activity (Go SEA)

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