UCSF

ZINC37824493

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) -1.22 1.94 -51.76 2 6 1 73 255.342 7
Hi High (pH 8-9.5) -1.22 0.5 -13.68 1 6 0 69 254.334 7
Mid Mid (pH 6-8) -1.22 4.21 -106.87 3 6 2 74 256.35 7

Activity (Go SEA)

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