UCSF

ZINC20594779

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 5.16 10.55 -14.44 1 7 0 63 469.626 13
Mid Mid (pH 6-8) 5.16 12.88 -58.15 2 7 1 64 470.634 13

Activity (Go SEA)

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