UCSF

ZINC36326751

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 15 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) 1.28 0.6 -33.91 4 4 1 64 214.333 5
Mid Mid (pH 6-8) 1.28 2.23 -98.39 5 4 2 65 215.341 5

Activity (Go SEA)

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