UCSF

ZINC19904248

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 30 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) 2.78 9.22 -115.26 0 7 -2 110 407.422 8
Mid Mid (pH 6-8) 2.78 8.39 -53.41 1 7 -1 107 408.43 8

Activity (Go SEA)

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