UCSF

ZINC07671529

Substance Information

In ZINC since Heavy atoms Benign functionality
June 10th, 2006 28 No

Download: MOL2 SDF SMILES Flexibase

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) 2.92 9.75 -16.3 1 8 0 112 400.822 6
Hi High (pH 8-9.5) 3.38 7.26 -51.44 0 8 -1 115 399.814 6

Activity (Go SEA)

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