UCSF

ZINC14534665

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 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) 2.82 7.53 -10.1 2 8 0 94 400.479 8
Lo Low (pH 4.5-6) 2.82 7.8 -32.44 3 8 1 96 401.487 8

Activity (Go SEA)

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