UCSF

ZINC42204478

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) -0.60 -3 -36.17 2 8 -1 124 240.195 4
Hi High (pH 8-9.5) -0.60 -4 -45.8 2 8 -1 124 240.195 4
Mid Mid (pH 6-8) -1.05 -1.24 -10.29 3 8 0 121 241.203 4

Activity (Go SEA)

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