UCSF

ZINC20395367

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 33 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) 2.63 5.09 -57.75 3 9 1 114 455.487 8
Mid Mid (pH 6-8) 2.63 2.7 -16.24 2 9 0 113 454.479 8

Activity (Go SEA)

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