UCSF

ZINC13731762

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 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) 2.23 7.26 -51.32 2 5 1 66 264.349 6
Mid Mid (pH 6-8) 2.23 8.31 -38.71 2 5 1 62 264.349 6
Mid Mid (pH 6-8) 2.23 9.28 -132.56 3 5 2 67 265.357 6

Activity (Go SEA)

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