UCSF

ZINC33954689

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2009 11 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) 0.05 4.36 -57.43 2 4 0 70 152.153 2
Hi High (pH 8-9.5) 0.05 3.96 -57.47 1 4 -1 69 151.145 2

Activity (Go SEA)

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