UCSF

ZINC16805767

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2008 33 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) 3.23 9.47 -42.98 0 8 -1 105 450.467 11
Mid Mid (pH 6-8) 3.68 7.69 -29.32 1 8 0 102 451.475 10
Mid Mid (pH 6-8) 2.65 8.68 -25.13 0 8 0 99 451.475 11

Activity (Go SEA)

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