UCSF

ZINC13282804

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 31 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) 1.40 6.16 -53.96 0 7 -1 86 424.452 7
Mid Mid (pH 6-8) 1.85 7.47 -45.92 2 7 1 84 426.468 6
Mid Mid (pH 6-8) 0.82 8.22 -48.67 1 7 1 81 426.468 7
Mid Mid (pH 6-8) 1.40 8.49 -76.05 1 7 0 87 425.46 7

Activity (Go SEA)

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