UCSF

ZINC08446365

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2006 30 No

Other Names:

MFCD02742472

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) 5.38 12.97 -32.97 3 5 1 72 435.96 7
Ref Reference (pH 7) 5.38 13.09 -29.27 3 5 1 72 435.96 7
Hi High (pH 8-9.5) 5.25 12.66 -19.02 2 5 0 73 434.952 6
Hi High (pH 8-9.5) 5.25 12.99 -29.09 3 5 1 74 435.96 6
Hi High (pH 8-9.5) 5.25 12.84 -33.68 3 5 1 74 435.96 6

Activity (Go SEA)

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