UCSF

ZINC06111879

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 29 No

Other Names:

MFCD02742480

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) 4.75 12.53 -34.11 3 5 1 72 401.515 7
Hi High (pH 8-9.5) 4.62 12.21 -18.75 2 5 0 73 400.507 6
Hi High (pH 8-9.5) 4.62 12.41 -34.94 3 5 1 74 401.515 6

Activity (Go SEA)

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