UCSF

ZINC13122596

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 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) 5.13 6.92 -18.81 2 6 0 85 388.423 6
Ref Reference (pH 7) 4.67 9.53 -19.71 2 6 0 84 388.423 5
Mid Mid (pH 6-8) 5.31 7.78 -34.13 3 6 1 89 389.431 4
Mid Mid (pH 6-8) 5.31 8.34 -33.54 3 6 1 89 389.431 4

Activity (Go SEA)

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