UCSF

ZINC36189917

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) 0.02 4.22 -40.54 4 6 1 79 264.353 3
Mid Mid (pH 6-8) 0.02 2.07 -6.99 3 6 0 78 263.345 3

Activity (Go SEA)

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