UCSF

ZINC42463256

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.29 4.08 -44.74 2 5 1 53 237.327 2
Mid Mid (pH 6-8) 0.29 2.03 -10.81 1 5 0 52 236.319 2

Activity (Go SEA)

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