UCSF

ZINC10109584

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2007 28 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) 3.63 12.15 -15.76 1 6 0 76 409.54 6
Hi High (pH 8-9.5) 4.09 10.65 -49.59 0 6 -1 80 408.532 6

Activity (Go SEA)

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