UCSF

ZINC45691750

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 Yes

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) 2.93 8.46 -42 1 4 1 41 290.431 10
Hi High (pH 8-9.5) 2.93 5.98 -6.35 0 4 0 40 289.423 10
Mid Mid (pH 6-8) 2.93 8.13 -43.26 1 4 1 41 290.431 10
Mid Mid (pH 6-8) 2.93 10.6 -117.09 2 4 2 42 291.439 10

Activity (Go SEA)

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