UCSF

ZINC06295325

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 31 No

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) 4.26 11.08 -44.25 0 5 -1 70 412.465 6
Lo Low (pH 4.5-6) 4.26 9.95 -18.04 1 5 0 67 413.473 6

Activity (Go SEA)

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