UCSF

ZINC11616786

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 35 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) 3.61 9.8 -63.96 1 8 -1 112 499.588 10
Mid Mid (pH 6-8) 3.79 7.74 -21.22 2 8 0 114 500.596 10
Mid Mid (pH 6-8) 3.79 6.5 -19.41 2 8 0 114 500.596 10
Lo Low (pH 4.5-6) 3.61 10.15 -19.29 2 8 0 110 500.596 10

Activity (Go SEA)

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