UCSF

ZINC45691356

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 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) 2.70 8.93 -45.31 2 5 1 66 294.419 9
Hi High (pH 8-9.5) 2.70 7.13 -5.38 1 5 0 61 293.411 9
Mid Mid (pH 6-8) 2.70 9.19 -36.69 2 5 1 62 294.419 9

Activity (Go SEA)

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