UCSF

ZINC05685788

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 25 No

Other Names:

MFCD02045373

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) 3.19 9.91 -53.56 0 4 -1 60 336.342 5
Mid Mid (pH 6-8) 2.60 1.52 -11.14 0 4 0 54 337.35 5
Mid Mid (pH 6-8) 3.63 7.76 -26.92 1 4 0 58 337.35 4

Activity (Go SEA)

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