UCSF

ZINC14534155

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 35 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) 5.17 12.23 -15.21 2 8 0 94 476.577 8
Lo Low (pH 4.5-6) 5.17 12.51 -40.73 3 8 1 96 477.585 8

Activity (Go SEA)

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