UCSF

ZINC34666362

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 13 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) 2.51 3.21 -38.9 3 2 1 37 184.234 3
Hi High (pH 8-9.5) 2.51 3.96 -38.43 2 2 0 40 183.226 3

Activity (Go SEA)

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