UCSF

ZINC35119731

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 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) -0.27 -3.09 -19.21 3 6 0 95 258.299 5
Mid Mid (pH 6-8) -0.27 -2.92 -46.49 2 6 -1 98 257.291 5

Activity (Go SEA)

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