UCSF

ZINC45686329

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 2.69 5.3 -36.36 2 3 1 29 243.415 5
Lo Low (pH 4.5-6) 2.69 6.98 -108.86 3 3 2 30 244.423 5

Activity (Go SEA)

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