UCSF

ZINC33937559

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2009 13 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) 1.20 0.83 -45.81 4 3 1 60 183.275 0
Hi High (pH 8-9.5) 1.20 0.65 -4.77 3 3 0 59 182.267 0
Hi High (pH 8-9.5) 1.20 0.64 -4.56 3 3 0 59 182.267 0

Activity (Go SEA)

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