UCSF

ZINC17207716

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 32 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) 3.36 4.7 -17.33 2 9 0 117 474.564 6
Hi High (pH 8-9.5) 2.43 4.37 -49.56 1 9 -1 115 473.556 7

Activity (Go SEA)

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