UCSF

ZINC42463040

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) -0.85 -1.24 -46.48 4 6 1 80 257.358 4
Hi High (pH 8-9.5) -0.85 -1.64 -8.42 3 6 0 79 256.35 4
Mid Mid (pH 6-8) -0.85 0.82 -91.35 5 6 2 81 258.366 4

Activity (Go SEA)

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