UCSF

ZINC35697666

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 19 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) 3.55 9.13 -13.65 1 3 0 38 308.815 1
Mid Mid (pH 6-8) 4.01 7.84 -41.92 0 3 -1 41 307.807 1

Activity (Go SEA)

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