UCSF

ZINC44893253

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 29 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) 0.88 3.28 -45.19 3 8 1 99 394.455 4
Ref Reference (pH 7) 0.69 5.94 -44.4 3 8 1 96 394.455 4
Mid Mid (pH 6-8) 0.69 5.63 -18.01 2 8 0 95 393.447 4
Mid Mid (pH 6-8) 0.88 2.98 -19.4 2 8 0 98 393.447 4

Activity (Go SEA)

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