UCSF

ZINC01260314

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 26 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) 3.22 8.74 -48.23 1 5 -1 74 360.418 2
Lo Low (pH 4.5-6) 2.76 9.83 -14.1 2 5 0 71 361.426 2

Activity (Go SEA)

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