UCSF

ZINC35123029

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 21 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) 1.79 8.28 -68.9 2 5 0 74 298.427 8
Lo Low (pH 4.5-6) 1.79 5.99 -43.22 3 5 1 71 299.435 8

Activity (Go SEA)

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