UCSF

ZINC33957324

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2009 13 No

Other Names:

MFCD13370786

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) 1.39 3.63 -6.97 1 4 0 59 179.175 3
Hi High (pH 8-9.5) 1.39 3.77 -44.98 0 4 -1 62 178.167 3
Hi High (pH 8-9.5) 1.39 4.89 -45.81 0 4 -1 62 178.167 3

Activity (Go SEA)

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