UCSF

ZINC34959734

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 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) 2.19 5.91 -5.51 2 3 0 52 239.29 5
Mid Mid (pH 6-8) 2.19 6.24 -45.52 3 3 1 54 240.298 5

Activity (Go SEA)

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