UCSF

ZINC04176954

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 25 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) 3.07 10.19 -12.59 1 8 0 89 379.207 1
Lo Low (pH 4.5-6) 3.07 10.32 -39.23 2 8 1 91 380.215 1

Activity (Go SEA)

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