UCSF

ZINC36882906

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 1.75 5.58 -11.7 2 4 0 59 245.257 2
Lo Low (pH 4.5-6) 1.75 5.43 -34.02 3 4 1 60 246.265 2

Activity (Go SEA)

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