UCSF

ZINC36612212

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 26 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) 2.07 9.91 -46.94 1 6 1 55 356.494 4
Mid Mid (pH 6-8) 2.07 7.66 -10.31 0 6 0 54 355.486 4

Activity (Go SEA)

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