UCSF

ZINC05010283

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2006 26 No

Other Names:

MFCD01243976

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) 3.83 10.33 -24.31 1 5 0 60 360.442 4
Ref Reference (pH 7) 3.89 10.4 -33.59 2 5 1 65 361.45 4
Mid Mid (pH 6-8) 3.89 8.88 -13.23 1 5 0 63 360.442 4
Mid Mid (pH 6-8) 3.89 9.48 -16.83 1 5 0 63 360.442 4

Activity (Go SEA)

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