UCSF

ZINC19977680

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 15 No

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) -1.95 -1.45 -46.03 3 6 1 75 216.261 4
Mid Mid (pH 6-8) -1.95 -2.83 -6.66 2 6 0 71 215.253 4

Activity (Go SEA)

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