UCSF

ZINC39115623

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 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) -1.04 1.61 -46.47 3 4 1 63 157.193 1
Hi High (pH 8-9.5) -1.04 0.22 -16.01 2 4 0 58 156.185 1

Activity (Go SEA)

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