UCSF

ZINC19842403

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 24 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) 3.06 9.9 -35.98 1 5 1 53 330.383 5
Mid Mid (pH 6-8) 3.06 10.23 -42.32 1 5 1 53 330.383 5
Mid Mid (pH 6-8) 3.06 7.91 -11.15 0 5 0 52 329.375 5

Activity (Go SEA)

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