UCSF

ZINC35477585

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 36 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) 2.48 9.55 -15.32 1 8 0 80 508.022 8
Mid Mid (pH 6-8) 2.48 11.83 -51.49 2 8 1 81 509.03 8

Activity (Go SEA)

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