UCSF

ZINC05777378

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 25 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) 5.04 7.8 -19.04 2 4 0 62 346.411 3
Mid Mid (pH 6-8) 5.04 7.33 -51.36 1 4 -1 64 345.403 3

Activity (Go SEA)

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