UCSF

ZINC20872593

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 23 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) 1.90 6.15 -47.75 4 5 1 78 315.393 8
Hi High (pH 8-9.5) 1.90 4.69 -17.56 3 5 0 74 314.385 8

Activity (Go SEA)

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