UCSF

ZINC42391529

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 20 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) 2.02 8.9 -192.34 5 3 3 37 278.464 6
Hi High (pH 8-9.5) 2.02 7.01 -88.71 4 3 2 35 277.456 6
Mid Mid (pH 6-8) 2.02 8.52 -95.42 4 3 2 35 277.456 6

Activity (Go SEA)

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