UCSF

ZINC11667953

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2008 29 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) 3.11 10.7 -41.07 1 4 1 38 402.44 4
Lo Low (pH 4.5-6) 3.11 11.17 -83.72 2 4 2 39 403.448 4

Activity (Go SEA)

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