UCSF

ZINC53150055

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 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) 3.88 9.47 -49 2 2 1 26 308.804 6
Mid Mid (pH 6-8) 3.88 8.26 -6.71 1 2 0 21 307.796 6

Activity (Go SEA)

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