UCSF

ZINC08968638

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 26 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) 2.72 5.42 -58.52 1 5 -1 81 419.226 5
Mid Mid (pH 6-8) 3.17 5.34 -17.01 2 5 0 78 420.234 4

Activity (Go SEA)

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