UCSF

ZINC19972631

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 33 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) 2.98 7.96 -62.34 0 7 -1 82 449.527 8
Mid Mid (pH 6-8) 2.98 10.29 -78.93 1 7 0 83 450.535 8

Activity (Go SEA)

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