UCSF

ZINC34996627

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 15 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) 2.03 4.87 -37.04 2 2 1 20 207.341 2
Mid Mid (pH 6-8) 2.03 7.26 -103.04 3 2 2 21 208.349 2

Activity (Go SEA)

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