UCSF

ZINC35521616

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 14 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) 2.25 3.6 -33.91 3 2 1 37 214.354 5
Mid Mid (pH 6-8) 2.25 2.7 -3.62 2 2 0 32 213.346 5

Activity (Go SEA)

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