UCSF

ZINC08845339

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 36 Yes

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) 5.53 10.24 -13.49 2 7 0 88 483.568 8
Hi High (pH 8-9.5) 5.53 11.08 -45.55 1 7 -1 91 482.56 8

Activity (Go SEA)

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