UCSF

ZINC01201084

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 24 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) 3.38 5.54 -41.2 0 5 -1 75 360.176 2
Lo Low (pH 4.5-6) 2.92 7.97 -9.27 1 5 0 72 361.184 2

Activity (Go SEA)

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