UCSF

ZINC06812818

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 23 No

Other Names:

MFCD01835844

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) 1.68 1.75 -11.87 3 6 0 101 303.325 1
Mid Mid (pH 6-8) 1.68 2.32 -35.2 4 6 1 102 304.333 1
Mid Mid (pH 6-8) 1.68 3.03 -33.89 4 6 1 102 304.333 1
Lo Low (pH 4.5-6) 1.68 2.8 -59.85 4 6 1 102 304.333 1

Activity (Go SEA)

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