UCSF

ZINC19855240

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 34 Yes

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) 5.48 12.79 -18.98 1 6 0 59 454.574 6
Mid Mid (pH 6-8) 5.48 13.18 -38.97 2 6 1 61 455.582 6

Activity (Go SEA)

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