UCSF

ZINC37032956

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 0.64 2.5 -49.45 4 6 1 82 279.364 5
Hi High (pH 8-9.5) 0.64 2.21 -8.69 3 6 0 80 278.356 5
Mid Mid (pH 6-8) 0.64 2.84 -94.85 5 6 2 83 280.372 5

Activity (Go SEA)

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