UCSF

ZINC05770715

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 22 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) 4.05 5.7 -13.28 2 4 0 62 314.341 3
Mid Mid (pH 6-8) 4.05 4.87 -42.93 1 4 -1 64 313.333 3

Activity (Go SEA)

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