UCSF

ZINC36994067

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 2.57 6.42 -54.55 3 3 1 45 258.389 1
Mid Mid (pH 6-8) 2.57 6.9 -111.23 4 3 2 47 259.397 1

Activity (Go SEA)

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