UCSF

ZINC13285910

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2008 23 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) 3.88 9.2 -9.64 0 4 0 47 341.461 3
Lo Low (pH 4.5-6) 3.88 9.45 -41.7 1 4 1 49 342.469 3

Activity (Go SEA)

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