UCSF

ZINC07791892

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2006 23 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.12 6.52 -47.83 2 6 1 63 320.413 8
Mid Mid (pH 6-8) 1.12 4.32 -18.64 1 6 0 62 319.405 8

Activity (Go SEA)

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