UCSF

ZINC41680503

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 3.12 10.46 -178.82 4 3 3 25 286.528 7
Mid Mid (pH 6-8) 3.12 9.46 -85.23 3 3 2 21 285.52 7
Mid Mid (pH 6-8) 3.12 8.91 -77.36 3 3 2 24 285.52 7

Activity (Go SEA)

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