UCSF

ZINC02898582

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 32 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) 7.12 1.08 -11.68 1 5 0 74 417.468 5
Mid Mid (pH 6-8) 7.12 1.26 -42.41 1 5 1 74 417.468 5

Activity (Go SEA)

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