UCSF

ZINC39293318

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 34 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) 0.63 -1.15 -112.77 7 11 2 154 472.546 8
Hi High (pH 8-9.5) 0.63 -1.53 -57.24 6 11 1 153 471.538 8

Activity (Go SEA)

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