UCSF

ZINC06729326

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 29 No

Other Names:

MFCD14749751

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) 2.79 7.03 -22.19 1 8 0 94 391.431 5
Ref Reference (pH 7) 2.79 6.4 -14.97 1 8 0 94 391.431 5
Ref Reference (pH 7) 2.79 5.93 -14.61 1 8 0 94 391.431 5
Ref Reference (pH 7) 2.79 5.89 -12.39 1 8 0 94 391.431 5

Activity (Go SEA)

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