UCSF

ZINC16689678

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 33 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) 1.61 4.16 -61.23 2 10 1 118 495.603 6
Mid Mid (pH 6-8) 1.61 4.15 -91.96 1 10 0 120 494.595 6

Activity (Go SEA)

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