UCSF

ZINC06803245

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 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) 4.22 12.7 -38.64 2 5 0 75 374.44 7
Hi High (pH 8-9.5) 4.22 11.32 -53.03 1 5 -1 70 373.432 7

Activity (Go SEA)

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