UCSF

ZINC05773847

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 20 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) 3.13 5.86 -13.14 1 4 0 70 306.774 4
Mid Mid (pH 6-8) 3.13 6.02 -34.63 0 4 -1 72 305.766 4

Activity (Go SEA)

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