UCSF

ZINC35274059

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 25 No

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) -1.54 -1.74 -56.7 6 9 1 130 348.383 3
Hi High (pH 8-9.5) -1.54 -2.09 -19.17 5 9 0 128 347.375 3
Hi High (pH 8-9.5) -1.54 -0.86 -58.23 4 9 -1 131 346.367 3
Mid Mid (pH 6-8) -0.60 -1.43 -31.28 6 9 0 136 347.375 3

Activity (Go SEA)

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