UCSF

ZINC34668527

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 35 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) 3.56 14.02 -105.14 2 7 2 55 476.621 7
Hi High (pH 8-9.5) 3.56 9.57 -10.28 0 7 0 52 474.605 7
Mid Mid (pH 6-8) 3.56 11.79 -49.61 1 7 1 54 475.613 7
Mid Mid (pH 6-8) 3.56 11.8 -47.06 1 7 1 54 475.613 7

Activity (Go SEA)

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