UCSF

ZINC34571204

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 30 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) 4.99 9.96 -34.1 4 5 1 78 398.486 5
Hi High (pH 8-9.5) 4.99 9.57 -15.51 3 5 0 77 397.478 5

Activity (Go SEA)

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