UCSF

ZINC06455111

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 21 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) 2.50 4.67 -11.12 2 5 0 74 283.262 2
Ref Reference (pH 7) 2.50 4.5 -17.59 2 5 0 74 283.262 2
Hi High (pH 8-9.5) 2.96 2.61 -55.98 1 5 -1 77 282.254 2
Hi High (pH 8-9.5) 2.96 2.93 -44.01 1 5 -1 77 282.254 2

Activity (Go SEA)

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