UCSF

ZINC36047651

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2009 15 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) 0.52 1.18 -9.07 0 5 0 45 214.265 4
Mid Mid (pH 6-8) 0.52 3.38 -46.43 1 5 1 47 215.273 4

Activity (Go SEA)

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