UCSF

ZINC34974911

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 1.62 1.46 -48.88 1 5 -1 73 268.343 4
Mid Mid (pH 6-8) 1.62 1.66 -11.98 2 5 0 71 269.351 4

Activity (Go SEA)

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