UCSF

ZINC37096082

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 1.44 7.33 -33.37 3 3 1 40 265.421 8
Mid Mid (pH 6-8) 1.44 7.41 -126.91 4 3 2 41 266.429 8
Mid Mid (pH 6-8) 1.44 5.71 -42.28 3 3 1 40 265.421 8

Activity (Go SEA)

Rings

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