UCSF

ZINC20079577

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 31 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) 2.43 4.58 -58.01 1 7 -1 93 441.891 6
Mid Mid (pH 6-8) 2.43 6.93 -71.01 2 7 0 94 442.899 6

Activity (Go SEA)

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