UCSF

ZINC38600063

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 20 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) -1.97 -2.03 -43.51 6 10 1 149 284.252 2
Hi High (pH 8-9.5) -1.97 -2.55 -21.57 5 10 0 148 283.244 2

Activity (Go SEA)

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