UCSF

ZINC37085620

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 3.28 7.2 -43.76 2 4 1 52 278.372 6
Hi High (pH 8-9.5) 3.28 6.21 -6.87 1 4 0 48 277.364 6

Activity (Go SEA)

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