UCSF

ZINC20293567

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 35 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) 2.38 14.52 -51 1 8 1 78 473.601 5
Mid Mid (pH 6-8) 2.38 12.29 -16.13 0 8 0 76 472.593 5

Activity (Go SEA)

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