UCSF

ZINC45694091

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) 1.13 6.14 -86 5 6 2 80 295.431 7
Hi High (pH 8-9.5) 1.13 3.24 -6.85 3 6 0 78 293.415 7
Mid Mid (pH 6-8) 1.13 5.71 -32.67 4 6 1 79 294.423 7

Activity (Go SEA)

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