UCSF

ZINC14534661

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 33 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) 3.99 11.45 -16.51 2 8 0 94 452.555 11
Lo Low (pH 4.5-6) 3.99 11.72 -43.92 3 8 1 96 453.563 11

Activity (Go SEA)

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