UCSF

ZINC42945544

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 17 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) 1.71 4.02 -116.77 5 3 2 52 258.793 6
Hi High (pH 8-9.5) 1.71 2.52 -44.62 4 3 1 51 257.785 6
Mid Mid (pH 6-8) 1.71 3.71 -35.53 4 3 1 51 257.785 6

Activity (Go SEA)

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