UCSF

ZINC06795280

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 25 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) 4.17 12.44 -40.02 2 4 0 62 336.435 6
Hi High (pH 8-9.5) 4.17 11.08 -51.86 1 4 -1 57 335.427 6

Activity (Go SEA)

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