UCSF

ZINC09512230

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 22 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) 3.08 -0.52 -13.36 1 5 0 72 327.308 5
Hi High (pH 8-9.5) 3.08 0.06 -49.75 0 5 -1 74 326.3 5

Activity (Go SEA)

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