UCSF

ZINC43974125

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 7.18 -109.38 3 3 2 30 258.45 7
Hi High (pH 8-9.5) 2.89 4.57 -35 2 3 1 29 257.442 7
Hi High (pH 8-9.5) 2.89 3.89 -0.95 1 3 0 24 256.434 7
Mid Mid (pH 6-8) 2.89 4.47 -28.83 2 3 1 26 257.442 7

Activity (Go SEA)

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