UCSF

ZINC09089562

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 27 No

Other Names:

MFCD02161250

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) 3.53 8.71 -60.79 0 5 -1 70 362.405 6
Mid Mid (pH 6-8) 3.53 8.67 -11.57 1 5 0 67 363.413 6
Mid Mid (pH 6-8) 2.94 9.02 -11.47 0 5 0 64 363.413 6

Activity (Go SEA)

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