UCSF

ZINC37848996

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 2.75 5.04 -42.46 3 3 1 46 272.434 9
Mid Mid (pH 6-8) 2.75 3.66 -5.29 2 3 0 41 271.426 9

Activity (Go SEA)

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