UCSF

ZINC10112127

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2007 34 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) 5.11 10.43 -17.04 2 6 0 79 477.63 7
Mid Mid (pH 6-8) 5.11 10.41 -56.32 1 6 -1 81 476.622 7
Lo Low (pH 4.5-6) 5.11 11.05 -50.11 3 6 1 80 478.638 7

Activity (Go SEA)

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