UCSF

ZINC43974129

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.89 7.42 -106.32 3 3 2 30 258.45 7
Hi High (pH 8-9.5) 2.89 4.34 -0.57 1 3 0 24 256.434 7
Hi High (pH 8-9.5) 2.89 6.01 -33.35 2 3 1 29 257.442 7
Mid Mid (pH 6-8) 2.89 6.38 -26.93 2 3 1 26 257.442 7

Activity (Go SEA)

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