UCSF

ZINC26668071

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 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) 2.87 10.69 -65.23 1 8 1 79 439.488 3
Hi High (pH 8-9.5) 2.87 8.7 -13.19 0 8 0 78 438.48 3

Activity (Go SEA)

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