UCSF

ZINC36191567

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 0.94 5.68 -171.18 5 4 3 40 285.5 5
Hi High (pH 8-9.5) 0.94 5.46 -78.02 4 4 2 38 284.492 5

Activity (Go SEA)

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