UCSF

ZINC05076407

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.18 14.4 -18.24 0 9 0 93 389.456 8
Mid Mid (pH 6-8) 3.18 14.88 -38.93 1 9 1 94 390.464 8

Activity (Go SEA)

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